N-methylpropane-1-sulfonamide

C4H11NO2S — CID 14399856

IUPACN-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)NC
InChIInChI=1S/C4H11NO2S/c1-3-4-8(6,7)5-2/h5H,3-4H2,1-2H3
InChIKeyDUIVBXGYYJPSJX-UHFFFAOYSA-N
MW137.20 g/mol
LogP-0.05
Rot. Bonds3

About N-methylpropane-1-sulfonamide

N-methylpropane-1-sulfonamide (PubChem CID 14399856) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-methylpropane-1-sulfonamide
PubChem CID14399856
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC NameN-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)NC
InChIInChI=1S/C4H11NO2S/c1-3-4-8(6,7)5-2/h5H,3-4H2,1-2H3
InChIKeyDUIVBXGYYJPSJX-UHFFFAOYSA-N
XLogP-0.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylpropane-1-sulfonamide?
The IUPAC name of N-methylpropane-1-sulfonamide (CID 14399856) is N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-methylpropane-1-sulfonamide?
The canonical SMILES for N-methylpropane-1-sulfonamide is CCCS(=O)(=O)NC.
What is the InChIKey of N-methylpropane-1-sulfonamide?
The InChIKey is DUIVBXGYYJPSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-3-4-8(6,7)5-2/h5H,3-4H2,1-2H3.
What are the key properties of N-methylpropane-1-sulfonamide?
N-methylpropane-1-sulfonamide has a molecular weight of 137.20 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropane-1-sulfonamide is sourced from PubChem (CID 14399856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).