(2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride

C15H24Cl2N2OS — CID 119297358

IUPAC(2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NCC(C)(C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H23ClN2OS.ClH/c1-15(2,11-4-6-12(16)7-5-11)10-18-14(19)13(17)8-9-20-3;/h4-7,13H,8-10,17H2,1-3H3,(H,18,19);1H/t13-;/m0./s1
InChIKeyACRSFZNPKVWCRK-ZOWNYOTGSA-N
MW351.34 g/mol
LogP3.24
Rot. Bonds7

About (2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119297358) has the molecular formula C15H24Cl2N2OS and a molecular weight of 351.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119297358
Molecular FormulaC15H24Cl2N2OS
Molecular Weight351.34 g/mol
Exact Mass350.10
IUPAC Name(2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NCC(C)(C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H23ClN2OS.ClH/c1-15(2,11-4-6-12(16)7-5-11)10-18-14(19)13(17)8-9-20-3;/h4-7,13H,8-10,17H2,1-3H3,(H,18,19);1H/t13-;/m0./s1
InChIKeyACRSFZNPKVWCRK-ZOWNYOTGSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-methyl-2-(4-methylphenyl)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119318670
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methoxypropanamide;hydrochloride
CID 120986999
(2S)-2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119320121
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119297367
(2S)-2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119309915
(2S)-2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide
CID 119325004
(2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119290591
(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 103461634
4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827
(2S)-2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfanylbutanamide
CID 119329650
(2S)-2-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-4-methylsulfanylbutanamide
CID 119290592
(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 119290996

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride (CID 119297358) is (2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride is CSCC[C@H](N)C(=O)NCC(C)(C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is ACRSFZNPKVWCRK-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H23ClN2OS.ClH/c1-15(2,11-4-6-12(16)7-5-11)10-18-14(19)13(17)8-9-20-3;/h4-7,13H,8-10,17H2,1-3H3,(H,18,19);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 351.34 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119297358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).