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N-Methylpropane-1-sulfonamide

CAT: 0926-ABA85560-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-ABA85560-01Size:50 mg
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CAS Number
25855-60-1
MDL Number
MFCD09728641
Smiles
CCCS (=O) (=O) NC
Molecular Formula
C4H11NO2S
Molecular Weight
137.2 g/mol
Controlled
No

Chemical Information

N-Methylpropane-1-sulfonamide
CAS Number25855-60-1
PubChem CID14399856
IUPAC NameN-methylpropane-1-sulfonamide
Molecular FormulaC4H11NO2S
Molecular Weight137.20
XLogP0.2
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity133
SMILES
CCCS(=O)(=O)NC
InChI
InChI=1S/C4H11NO2S/c1-3-4-8(6,7)5-2/h5H,3-4H2,1-2H3
InChIKey
DUIVBXGYYJPSJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methylpropane-1-sulfonamide
CAS: 25855-60-1
CID: 14399856
Formula: C4H11NO2S
MW: 137.20
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight137.20
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass137.05104977
Monoisotopic Mass137.05104977
Topological Polar Surface Area54.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes