(2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide

C10H19N3O3S — CID 46882497

IUPAC(2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide
SMILESCC(C)C[C@H](NC(=O)CNC(=O)CS)C(N)=O
InChIInChI=1S/C10H19N3O3S/c1-6(2)3-7(10(11)16)13-8(14)4-12-9(15)5-17/h6-7,17H,3-5H2,1-2H3,(H2,11,16)(H,12,15)(H,13,14)/t7-/m0/s1
InChIKeyXIKVBLIYVSFKQZ-ZETCQYMHSA-N
MW261.35 g/mol
LogP-0.95
Rot. Bonds7

About (2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide

(2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide (PubChem CID 46882497) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide
PubChem CID46882497
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name(2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide
SMILESCC(C)C[C@H](NC(=O)CNC(=O)CS)C(N)=O
InChIInChI=1S/C10H19N3O3S/c1-6(2)3-7(10(11)16)13-8(14)4-12-9(15)5-17/h6-7,17H,3-5H2,1-2H3,(H2,11,16)(H,12,15)(H,13,14)/t7-/m0/s1
InChIKeyXIKVBLIYVSFKQZ-ZETCQYMHSA-N
XLogP-0.95
TPSA101.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide 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 (2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide?
The IUPAC name of (2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide (CID 46882497) is (2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide is CC(C)C[C@H](NC(=O)CNC(=O)CS)C(N)=O.
What is the InChIKey of (2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide?
The InChIKey is XIKVBLIYVSFKQZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-6(2)3-7(10(11)16)13-8(14)4-12-9(15)5-17/h6-7,17H,3-5H2,1-2H3,(H2,11,16)(H,12,15)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide?
(2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide has a molecular weight of 261.35 g/mol, XLogP of -0.95, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]pentanamide is sourced from PubChem (CID 46882497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).