(2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide

C12H19N3O2S — CID 156530582

IUPAC(2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N=S(N)(=O)c1ccccc1
InChIInChI=1S/C12H19N3O2S/c1-9(2)8-11(13)12(16)15-18(14,17)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H2,14,15,16,17)/t11-,18?/m0/s1
InChIKeyWABWAAUZWNAFDH-FAQQKDIKSA-N
MW269.37 g/mol
LogP1.29
Rot. Bonds4

About (2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide

(2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide (PubChem CID 156530582) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide
PubChem CID156530582
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N=S(N)(=O)c1ccccc1
InChIInChI=1S/C12H19N3O2S/c1-9(2)8-11(13)12(16)15-18(14,17)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H2,14,15,16,17)/t11-,18?/m0/s1
InChIKeyWABWAAUZWNAFDH-FAQQKDIKSA-N
XLogP1.29
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide
CID 156531215
(2S)-2-amino-N-[2-(benzenesulfonamido)ethyl]-4-methylpentanamide;hydrochloride
CID 119704283
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
tert-butyl N-[(2S)-1-[[amino-(3-cyanophenyl)-oxo-λ6-sulfanylidene]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 156791455
2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide
CID 156791369
(2S)-2-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]-4-methylpentanamide
CID 119745106
(2S)-2-amino-4-methylpentanoic acid;bis(4-methylbenzenesulfonic acid)
CID 175907488
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596
1-phenylethyl 2-amino-4-methylpentanoate
CID 61277659
(2S)-2-amino-4-methyl-N-[3-[(2-phenoxyacetyl)amino]phenyl]sulfonylpentanamide
CID 155559842
1-(benzenesulfonyl)-1-(2-methylpropyl)urea
CID 154208378
(2S)-2-amino-4-methylpentanoic acid;phenylmethoxymethylbenzene
CID 70097248

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide (CID 156530582) is (2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)N=S(N)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide?
The InChIKey is WABWAAUZWNAFDH-FAQQKDIKSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9(2)8-11(13)12(16)15-18(14,17)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H2,14,15,16,17)/t11-,18?/m0/s1.
What are the key properties of (2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide?
(2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide has a molecular weight of 269.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(amino-oxo-phenyl-λ6-sulfanylidene)-4-methylpentanamide is sourced from PubChem (CID 156530582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).