N-methylbutane-1-sulfonamide

C5H13NO2S — CID 13343581

IUPACN-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC
InChIInChI=1S/C5H13NO2S/c1-3-4-5-9(7,8)6-2/h6H,3-5H2,1-2H3
InChIKeyCJUPBDDCEQLSBF-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.34
Rot. Bonds4

About N-methylbutane-1-sulfonamide

N-methylbutane-1-sulfonamide (PubChem CID 13343581) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-methylbutane-1-sulfonamide
PubChem CID13343581
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC NameN-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC
InChIInChI=1S/C5H13NO2S/c1-3-4-5-9(7,8)6-2/h6H,3-5H2,1-2H3
InChIKeyCJUPBDDCEQLSBF-UHFFFAOYSA-N
XLogP0.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylbutane-1-sulfonamide?
The IUPAC name of N-methylbutane-1-sulfonamide (CID 13343581) is N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-methylbutane-1-sulfonamide?
The canonical SMILES for N-methylbutane-1-sulfonamide is CCCCS(=O)(=O)NC.
What is the InChIKey of N-methylbutane-1-sulfonamide?
The InChIKey is CJUPBDDCEQLSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-3-4-5-9(7,8)6-2/h6H,3-5H2,1-2H3.
What are the key properties of N-methylbutane-1-sulfonamide?
N-methylbutane-1-sulfonamide has a molecular weight of 151.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbutane-1-sulfonamide is sourced from PubChem (CID 13343581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).