(2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide

C15H24N2OS — CID 119811710

IUPAC(2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide
SMILESCSc1cc(C)ccc1CNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C15H24N2OS/c1-10(2)7-13(16)15(18)17-9-12-6-5-11(3)8-14(12)19-4/h5-6,8,10,13H,7,9,16H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyFOWDSMYFXVBWKM-ZDUSSCGKSA-N
MW280.44 g/mol
LogP2.71
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide

(2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide (PubChem CID 119811710) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide
PubChem CID119811710
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide
SMILESCSc1cc(C)ccc1CNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C15H24N2OS/c1-10(2)7-13(16)15(18)17-9-12-6-5-11(3)8-14(12)19-4/h5-6,8,10,13H,7,9,16H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyFOWDSMYFXVBWKM-ZDUSSCGKSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
CID 119811330
(2S)-2-amino-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 110482526
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide
CID 119781006
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119781005
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368287
(2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide
CID 104903741
(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 130299690
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
(3R)-3-[(4-methyl-2-methylsulfanylphenyl)methylamino]butanamide
CID 97323672
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide (CID 119811710) is (2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide is CSc1cc(C)ccc1CNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide?
The InChIKey is FOWDSMYFXVBWKM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10(2)7-13(16)15(18)17-9-12-6-5-11(3)8-14(12)19-4/h5-6,8,10,13H,7,9,16H2,1-4H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide has a molecular weight of 280.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide is sourced from PubChem (CID 119811710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).