2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide

C9H16N4O3S — CID 64529971

IUPAC2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCc1ncc[nH]1
InChIInChI=1S/C9H16N4O3S/c1-17(15,16)5-2-7(10)9(14)13-6-8-11-3-4-12-8/h3-4,7H,2,5-6,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyDKWGQAKKCZRXGY-UHFFFAOYSA-N
MW260.32 g/mol
LogP-1.21
Rot. Bonds6

About 2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide

2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide (PubChem CID 64529971) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide
PubChem CID64529971
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCc1ncc[nH]1
InChIInChI=1S/C9H16N4O3S/c1-17(15,16)5-2-7(10)9(14)13-6-8-11-3-4-12-8/h3-4,7H,2,5-6,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyDKWGQAKKCZRXGY-UHFFFAOYSA-N
XLogP-1.21
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide 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 2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide (CID 64529971) is 2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide?
The InChIKey is DKWGQAKKCZRXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-17(15,16)5-2-7(10)9(14)13-6-8-11-3-4-12-8/h3-4,7H,2,5-6,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide?
2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide has a molecular weight of 260.32 g/mol, XLogP of -1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-imidazol-2-ylmethyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 64529971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).