(2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride

C14H23ClN2OS — CID 119301513

IUPAC(2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NCCc1cccc(C)c1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-11-4-3-5-12(10-11)6-8-16-14(17)13(15)7-9-18-2;/h3-5,10,13H,6-9,15H2,1-2H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyBGPVFJBHAIOTTH-ZOWNYOTGSA-N
MW302.87 g/mol
LogP2.16
Rot. Bonds7

About (2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119301513) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119301513
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name(2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCC[C@H](N)C(=O)NCCc1cccc(C)c1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-11-4-3-5-12(10-11)6-8-16-14(17)13(15)7-9-18-2;/h3-5,10,13H,6-9,15H2,1-2H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyBGPVFJBHAIOTTH-ZOWNYOTGSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methylphenyl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 62313413
(2S)-2-amino-N-[2-(3-methylphenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335742
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
(2S)-2-amino-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-4-methylsulfanylbutanamide;hydrochloride
CID 154913635
(2S)-2-amino-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119296429
(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62315395
(2R)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfanylbutanamide
CID 104906757
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
(2S)-2-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119315991
(2S)-2-amino-N-methyl-N-[(3-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 61165636
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
methyl 2-amino-4-(3-methylphenyl)butanoate
CID 116851529

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride (CID 119301513) is (2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride is CSCC[C@H](N)C(=O)NCCc1cccc(C)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is BGPVFJBHAIOTTH-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H22N2OS.ClH/c1-11-4-3-5-12(10-11)6-8-16-14(17)13(15)7-9-18-2;/h3-5,10,13H,6-9,15H2,1-2H3,(H,16,17);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 302.87 g/mol, XLogP of 2.16, 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-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119301513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).