(2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide

C15H24N2OS — CID 61180108

IUPAC(2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC(C)c1cc(C)ccc1C
InChIInChI=1S/C15H24N2OS/c1-10-5-6-11(2)13(9-10)12(3)17-15(18)14(16)7-8-19-4/h5-6,9,12,14H,7-8,16H2,1-4H3,(H,17,18)/t12?,14-/m0/s1
InChIKeySGOZBGXOXNBYSJ-PYMCNQPYSA-N
MW280.44 g/mol
LogP2.56
Rot. Bonds6

About (2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide (PubChem CID 61180108) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide
PubChem CID61180108
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC(C)c1cc(C)ccc1C
InChIInChI=1S/C15H24N2OS/c1-10-5-6-11(2)13(9-10)12(3)17-15(18)14(16)7-8-19-4/h5-6,9,12,14H,7-8,16H2,1-4H3,(H,17,18)/t12?,14-/m0/s1
InChIKeySGOZBGXOXNBYSJ-PYMCNQPYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 104908821
4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid
CID 64887951
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide
CID 81083466
(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119327098
(2S)-2-amino-N-[1-(4-methyl-3-nitrophenyl)ethyl]-4-methylsulfanylbutanamide
CID 119344138
(2R)-2-amino-4-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 104907286
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
CID 54862005
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
CID 62472493
3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide
CID 106111769
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
(2S)-2-amino-N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methylsulfanylbutanamide
CID 119297709
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 132651271

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide (CID 61180108) is (2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NC(C)c1cc(C)ccc1C.
What is the InChIKey of (2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is SGOZBGXOXNBYSJ-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10-5-6-11(2)13(9-10)12(3)17-15(18)14(16)7-8-19-4/h5-6,9,12,14H,7-8,16H2,1-4H3,(H,17,18)/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 280.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 61180108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).