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Prothipendyl Sulphoxide

CAT: 0572-TRC-P838860-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P838860-100MGSize:100 mg
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CAS Number
10071-01-9
Synonyms
N,N-Dimethyl-10H-pyrido[3,2-b][1,4]benzothiazine-10-propanamine 5-Oxide;
Hazard Statement
No Data Available
Smiles
CN(C)CCCN1C2=CC=CC=C2S(=O)C3=C1N=CC=C3
Molecular Formula
C16H19N3OS
Molecular Weight
301.41
InChI
InChI=1S/C16H19N3OS/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)21(20)15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3
Additionnal Information
IUPAC name: 10-(3-(dimethylamino)propyl)-10H-benzo[b]pyrido[2,3-e][1,4]thiazine 5-oxide
Shipping Conditions
Room Temperature

Chemical Information

Prothipendyl Sulphoxide
CAS Number10071-01-9
PubChem CID71751861
IUPAC NameN,N-dimethyl-3-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)propan-1-amine
Molecular FormulaC16H19N3OS
Molecular Weight301.4
XLogP2.1
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity377
SMILES
CN(C)CCCN1C2=CC=CC=C2S(=O)C3=C1N=CC=C3
InChI
InChI=1S/C16H19N3OS/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)21(20)15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3
InChIKey
BKBKPQMXDHFVLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prothipendyl Sulphoxide
CAS: 10071-01-9
CID: 71751861
Formula: C16H19N3OS
MW: 301.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.4
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass301.12488341
Monoisotopic Mass301.12488341
Topological Polar Surface Area66.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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