3-methyl-N-sulfamoylbutanamide

C5H12N2O3S — CID 130725164

IUPAC3-methyl-N-sulfamoylbutanamide
SMILESCC(C)CC(=O)NS(N)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-4(2)3-5(8)7-11(6,9)10/h4H,3H2,1-2H3,(H,7,8)(H2,6,9,10)
InChIKeyFGZYQCAVVZYCGK-UHFFFAOYSA-N
MW180.23 g/mol
LogP-0.65
Rot. Bonds3

About 3-methyl-N-sulfamoylbutanamide

3-methyl-N-sulfamoylbutanamide (PubChem CID 130725164) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-methyl-N-sulfamoylbutanamide.

Molecular Properties

Compound Name3-methyl-N-sulfamoylbutanamide
PubChem CID130725164
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name3-methyl-N-sulfamoylbutanamide
SMILESCC(C)CC(=O)NS(N)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-4(2)3-5(8)7-11(6,9)10/h4H,3H2,1-2H3,(H,7,8)(H2,6,9,10)
InChIKeyFGZYQCAVVZYCGK-UHFFFAOYSA-N
XLogP-0.65
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-sulfamoylbutanamide?
The IUPAC name of 3-methyl-N-sulfamoylbutanamide (CID 130725164) is 3-methyl-N-sulfamoylbutanamide.
What is the SMILES notation for 3-methyl-N-sulfamoylbutanamide?
The canonical SMILES for 3-methyl-N-sulfamoylbutanamide is CC(C)CC(=O)NS(N)(=O)=O.
What is the InChIKey of 3-methyl-N-sulfamoylbutanamide?
The InChIKey is FGZYQCAVVZYCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-4(2)3-5(8)7-11(6,9)10/h4H,3H2,1-2H3,(H,7,8)(H2,6,9,10).
What are the key properties of 3-methyl-N-sulfamoylbutanamide?
3-methyl-N-sulfamoylbutanamide has a molecular weight of 180.23 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-sulfamoylbutanamide is sourced from PubChem (CID 130725164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).