(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride

C13H29ClN2OS — CID 119262982

IUPAC(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NC(C)CCCC(C)C.Cl
InChIInChI=1S/C13H28N2OS.ClH/c1-10(2)6-5-7-11(3)15-13(16)12(14)8-9-17-4;/h10-12H,5-9,14H2,1-4H3,(H,15,16);1H/t11?,12-;/m0./s1
InChIKeyTVJSFFFEXBFTHM-MMFRDWCLSA-N
MW296.91 g/mol
LogP2.82
Rot. Bonds9

About (2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119262982) has the molecular formula C13H29ClN2OS and a molecular weight of 296.91 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119262982
Molecular FormulaC13H29ClN2OS
Molecular Weight296.91 g/mol
Exact Mass296.17
IUPAC Name(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NC(C)CCCC(C)C.Cl
InChIInChI=1S/C13H28N2OS.ClH/c1-10(2)6-5-7-11(3)15-13(16)12(14)8-9-17-4;/h10-12H,5-9,14H2,1-4H3,(H,15,16);1H/t11?,12-;/m0./s1
InChIKeyTVJSFFFEXBFTHM-MMFRDWCLSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.91
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride 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-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide
CID 104908942
(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
CID 61158173
(2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119313160
(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide
CID 104908132
(2S)-2-amino-4-methylsulfanyl-N-pent-4-yn-2-ylbutanamide
CID 103950389
2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
CID 87530289
2-amino-4,4-difluoro-N-(6-methylheptan-2-yl)butanamide
CID 167758669
[(1R)-1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]ethyl]boronic acid
CID 74765781
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103832925
4-methylpentyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 61302105
(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide
CID 106349776

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride (CID 119262982) is (2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride is CSCC[C@H](N)C(=O)NC(C)CCCC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is TVJSFFFEXBFTHM-MMFRDWCLSA-N. The full InChI is InChI=1S/C13H28N2OS.ClH/c1-10(2)6-5-7-11(3)15-13(16)12(14)8-9-17-4;/h10-12H,5-9,14H2,1-4H3,(H,15,16);1H/t11?,12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 296.91 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119262982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).