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Cipropride S enantiomer

CAT: 0013-GTR19206218-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206218-01Size:1 mg
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Description
Cipropride S enantiomer
CAS Number
66183-70-8
Product Name Alternative
Cipropride S enantiomer
Purity
99.78% (May vary between batches)
Solubility
DMSO:55 mg/mL (149.68 mM)
Smiles
C (NC[C@H]1N (CC2CC2) CCC1) (=O) C3=C (OC) C=CC (S (N) (=O) =O) =C3
Molecular Formula
C17H25N3O4S
Molecular Weight
367.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cipropride S enantiomer
CAS Number66183-70-8
PubChem CID129626444
IUPAC NameN-[[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide
Molecular FormulaC17H25N3O4S
Molecular Weight367.5
XLogP0.9
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity573
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC[C@@H]2CCCN2CC3CC3
InChI
InChI=1S/C17H25N3O4S/c1-24-16-7-6-14(25(18,22)23)9-15(16)17(21)19-10-13-3-2-8-20(13)11-12-4-5-12/h6-7,9,12-13H,2-5,8,10-11H2,1H3,(H,19,21)(H2,18,22,23)/t13-/m0/s1
InChIKey
BTYDXWCTJDAEHA-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Cipropride S enantiomer
CAS: 66183-70-8
CID: 129626444
Formula: C17H25N3O4S
MW: 367.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.5
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass367.15657746
Monoisotopic Mass367.15657746
Topological Polar Surface Area110 Ų
Heavy Atom Count25
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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