2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride

C14H23ClN2OS — CID 119747912

IUPAC2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccc(SC)cc1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-4-10(2)13(15)14(17)16-9-11-5-7-12(18-3)8-6-11;/h5-8,10,13H,4,9,15H2,1-3H3,(H,16,17);1H
InChIKeyIMQTYWRPYWGZFG-UHFFFAOYSA-N
MW302.87 g/mol
LogP2.82
Rot. Bonds6

About 2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride

2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride (PubChem CID 119747912) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
PubChem CID119747912
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccc(SC)cc1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-4-10(2)13(15)14(17)16-9-11-5-7-12(18-3)8-6-11;/h5-8,10,13H,4,9,15H2,1-3H3,(H,16,17);1H
InChIKeyIMQTYWRPYWGZFG-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
2-amino-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119302802
2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
CID 119714373
2-amino-3-methyl-N-[(4-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119708450
2-(aminomethyl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 115186990
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877
4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119713159
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507
(2S,3S)-2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylpentanamide
CID 61155382
2-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 115186573
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119730113
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride (CID 119747912) is 2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)NCc1ccc(SC)cc1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is IMQTYWRPYWGZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS.ClH/c1-4-10(2)13(15)14(17)16-9-11-5-7-12(18-3)8-6-11;/h5-8,10,13H,4,9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 302.87 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119747912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).