N-(aminomethyl)butane-1-sulfonamide

C5H14N2O2S — CID 20715247

IUPACN-(aminomethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCN
InChIInChI=1S/C5H14N2O2S/c1-2-3-4-10(8,9)7-5-6/h7H,2-6H2,1H3
InChIKeyKOALGQIGFDKVJR-UHFFFAOYSA-N
MW166.25 g/mol
LogP-0.38
Rot. Bonds5

About N-(aminomethyl)butane-1-sulfonamide

N-(aminomethyl)butane-1-sulfonamide (PubChem CID 20715247) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-(aminomethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(aminomethyl)butane-1-sulfonamide
PubChem CID20715247
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC NameN-(aminomethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCN
InChIInChI=1S/C5H14N2O2S/c1-2-3-4-10(8,9)7-5-6/h7H,2-6H2,1H3
InChIKeyKOALGQIGFDKVJR-UHFFFAOYSA-N
XLogP-0.38
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 ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(aminomethyl)butane-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 N-(aminomethyl)butane-1-sulfonamide?
The IUPAC name of N-(aminomethyl)butane-1-sulfonamide (CID 20715247) is N-(aminomethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(aminomethyl)butane-1-sulfonamide?
The canonical SMILES for N-(aminomethyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCN.
What is the InChIKey of N-(aminomethyl)butane-1-sulfonamide?
The InChIKey is KOALGQIGFDKVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-2-3-4-10(8,9)7-5-6/h7H,2-6H2,1H3.
What are the key properties of N-(aminomethyl)butane-1-sulfonamide?
N-(aminomethyl)butane-1-sulfonamide has a molecular weight of 166.25 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)butane-1-sulfonamide is sourced from PubChem (CID 20715247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).