(2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide

C14H22N2OS — CID 104908821

IUPAC(2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1C
InChIInChI=1S/C14H22N2OS/c1-10-6-4-5-7-12(10)11(2)16-14(17)13(15)8-9-18-3/h4-7,11,13H,8-9,15H2,1-3H3,(H,16,17)/t11-,13+/m0/s1
InChIKeyWICQOOLRJHHBKY-WCQYABFASA-N
MW266.41 g/mol
LogP2.25
Rot. Bonds6

About (2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide

(2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide (PubChem CID 104908821) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
PubChem CID104908821
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name(2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1C
InChIInChI=1S/C14H22N2OS/c1-10-6-4-5-7-12(10)11(2)16-14(17)13(15)8-9-18-3/h4-7,11,13H,8-9,15H2,1-3H3,(H,16,17)/t11-,13+/m0/s1
InChIKeyWICQOOLRJHHBKY-WCQYABFASA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119327098
(2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 61180108
2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide
CID 81380450
(2R)-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 94521564
2-amino-N-[1-(2-methylphenyl)ethyl]butanediamide
CID 61259896
2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
CID 120983404
(2R)-2-amino-4-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 104907286
2-amino-4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 119269340
(2S)-2-amino-4-methylsulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide
CID 119288564
ethyl 2-amino-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]-3-oxopropanoate
CID 104877641
(2R)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315305
(2S)-2-amino-4-methylsulfanyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81405060

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide (CID 104908821) is (2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1C.
What is the InChIKey of (2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is WICQOOLRJHHBKY-WCQYABFASA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-6-4-5-7-12(10)11(2)16-14(17)13(15)8-9-18-3/h4-7,11,13H,8-9,15H2,1-3H3,(H,16,17)/t11-,13+/m0/s1.
What are the key properties of (2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide?
(2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 266.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).