4-amino-N-methylbutane-1-sulfonamide

C5H14N2O2S — CID 61456555

IUPAC4-amino-N-methylbutane-1-sulfonamide
SMILESCNS(=O)(=O)CCCCN
InChIInChI=1S/C5H14N2O2S/c1-7-10(8,9)5-3-2-4-6/h7H,2-6H2,1H3
InChIKeyXSHZRSVUQYMEGP-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.73
Rot. Bonds5

About 4-amino-N-methylbutane-1-sulfonamide

4-amino-N-methylbutane-1-sulfonamide (PubChem CID 61456555) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 4-amino-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-methylbutane-1-sulfonamide
PubChem CID61456555
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC Name4-amino-N-methylbutane-1-sulfonamide
SMILESCNS(=O)(=O)CCCCN
InChIInChI=1S/C5H14N2O2S/c1-7-10(8,9)5-3-2-4-6/h7H,2-6H2,1H3
InChIKeyXSHZRSVUQYMEGP-UHFFFAOYSA-N
XLogP-0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-N-methylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methylbutane-1-sulfonamide?
The IUPAC name of 4-amino-N-methylbutane-1-sulfonamide (CID 61456555) is 4-amino-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-methylbutane-1-sulfonamide?
The canonical SMILES for 4-amino-N-methylbutane-1-sulfonamide is CNS(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-methylbutane-1-sulfonamide?
The InChIKey is XSHZRSVUQYMEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-7-10(8,9)5-3-2-4-6/h7H,2-6H2,1H3.
What are the key properties of 4-amino-N-methylbutane-1-sulfonamide?
4-amino-N-methylbutane-1-sulfonamide has a molecular weight of 166.25 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 61456555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).