(2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide

C13H23N3O2S2 — CID 156531215

IUPAC(2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N=S(N)(=O)c1ccc(C(C)C)s1
InChIInChI=1S/C13H23N3O2S2/c1-8(2)7-10(14)13(17)16-20(15,18)12-6-5-11(19-12)9(3)4/h5-6,8-10H,7,14H2,1-4H3,(H2,15,16,17,18)/t10-,20?/m0/s1
InChIKeyOOXRDMHMTOIMQI-SMNKDYLDSA-N
MW317.48 g/mol
LogP2.47
Rot. Bonds5

About (2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide

(2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide (PubChem CID 156531215) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is (2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide
PubChem CID156531215
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name(2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N=S(N)(=O)c1ccc(C(C)C)s1
InChIInChI=1S/C13H23N3O2S2/c1-8(2)7-10(14)13(17)16-20(15,18)12-6-5-11(19-12)9(3)4/h5-6,8-10H,7,14H2,1-4H3,(H2,15,16,17,18)/t10-,20?/m0/s1
InChIKeyOOXRDMHMTOIMQI-SMNKDYLDSA-N
XLogP2.47
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-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-phenyl-λ6-sulfanylidene)-4-methylpentanamide
CID 156530582
(2S)-2-amino-N-[amino-(4-methoxy-3-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylpentanamide
CID 156531623
(2S)-2-amino-N-[(4-chlorothiophen-2-yl)-formamido-oxo-λ6-sulfanylidene]-4-methylpentanamide
CID 177035504
3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide
CID 114875220
(2S)-2-amino-N-[(4-chlorothiophen-2-yl)-[[2-(4-cyanophenyl)acetyl]amino]-oxo-λ6-sulfanylidene]-4-methylpentanamide
CID 177035484
(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 54954200
3-amino-4-[[N-[(2S)-2-amino-4-methylpentanoyl]-S-(4-chlorothiophen-2-yl)sulfonimidoyl]amino]-4-oxobutanoic acid
CID 177035694
N'-methylsulfonyl-N'-[(5-propan-2-ylthiophen-2-yl)methyl]oxamide
CID 69116655
2-ethoxy-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43133916
N-[1-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133919
(2S)-2-amino-4-methyl-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]pentanamide;hydrochloride
CID 119802258
2-amino-4-methyl-N-methylidenepentanamide;formaldehyde;methanamine;2-methylthiophene
CID 156791394

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide (CID 156531215) is (2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)N=S(N)(=O)c1ccc(C(C)C)s1.
What is the InChIKey of (2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide?
The InChIKey is OOXRDMHMTOIMQI-SMNKDYLDSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-8(2)7-10(14)13(17)16-20(15,18)12-6-5-11(19-12)9(3)4/h5-6,8-10H,7,14H2,1-4H3,(H2,15,16,17,18)/t10-,20?/m0/s1.
What are the key properties of (2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide?
(2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide has a molecular weight of 317.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[amino-oxo-(5-propan-2-ylthiophen-2-yl)-λ6-sulfanylidene]-4-methylpentanamide is sourced from PubChem (CID 156531215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).