(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide

C16H24N2OS — CID 103797412

IUPAC(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide
SMILESCSC1CCCC(NC(=O)[C@H](N)Cc2ccccc2)C1
InChIInChI=1S/C16H24N2OS/c1-20-14-9-5-8-13(11-14)18-16(19)15(17)10-12-6-3-2-4-7-12/h2-4,6-7,13-15H,5,8-11,17H2,1H3,(H,18,19)/t13?,14?,15-/m1/s1
InChIKeyPBZBRIJPZOCWLP-YMAMQOFZSA-N
MW292.45 g/mol
LogP2.35
Rot. Bonds5

About (2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide

(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide (PubChem CID 103797412) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide
PubChem CID103797412
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide
SMILESCSC1CCCC(NC(=O)[C@H](N)Cc2ccccc2)C1
InChIInChI=1S/C16H24N2OS/c1-20-14-9-5-8-13(11-14)18-16(19)15(17)10-12-6-3-2-4-7-12/h2-4,6-7,13-15H,5,8-11,17H2,1H3,(H,18,19)/t13?,14?,15-/m1/s1
InChIKeyPBZBRIJPZOCWLP-YMAMQOFZSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119309135
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-N-(oxan-3-yl)-3-phenylpropanamide
CID 63361697
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide
CID 103798040
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide (CID 103797412) is (2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide is CSC1CCCC(NC(=O)[C@H](N)Cc2ccccc2)C1.
What is the InChIKey of (2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide?
The InChIKey is PBZBRIJPZOCWLP-YMAMQOFZSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-20-14-9-5-8-13(11-14)18-16(19)15(17)10-12-6-3-2-4-7-12/h2-4,6-7,13-15H,5,8-11,17H2,1H3,(H,18,19)/t13?,14?,15-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide?
(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide has a molecular weight of 292.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide is sourced from PubChem (CID 103797412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).