(2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide

C16H24N2OS — CID 97324947

IUPAC(2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide
SMILESCS[C@@H]1CCC[C@H]1N(C)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H24N2OS/c1-18(14-9-6-10-15(14)20-2)16(19)13(17)11-12-7-4-3-5-8-12/h3-5,7-8,13-15H,6,9-11,17H2,1-2H3/t13-,14+,15+/m0/s1
InChIKeyQGPTVLUCALNTDX-RRFJBIMHSA-N
MW292.45 g/mol
LogP2.30
Rot. Bonds5

About (2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide

(2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide (PubChem CID 97324947) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide
PubChem CID97324947
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide
SMILESCS[C@@H]1CCC[C@H]1N(C)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H24N2OS/c1-18(14-9-6-10-15(14)20-2)16(19)13(17)11-12-7-4-3-5-8-12/h3-5,7-8,13-15H,6,9-11,17H2,1-2H3/t13-,14+,15+/m0/s1
InChIKeyQGPTVLUCALNTDX-RRFJBIMHSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842325
2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
CID 56831881
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
(2R)-2-amino-N-(1-cyclopropylethyl)-N-methyl-3-phenylpropanamide
CID 78985501
(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 78985362
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 102861710
(2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide
CID 104985329
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
2-amino-N-(2-benzylcyclopentyl)-N-methyl-2-phenylacetamide;hydrochloride
CID 91647289
(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide
CID 103797412
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide
CID 103798040
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide (CID 97324947) is (2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide is CS[C@@H]1CCC[C@H]1N(C)C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide?
The InChIKey is QGPTVLUCALNTDX-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-18(14-9-6-10-15(14)20-2)16(19)13(17)11-12-7-4-3-5-8-12/h3-5,7-8,13-15H,6,9-11,17H2,1-2H3/t13-,14+,15+/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide?
(2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide has a molecular weight of 292.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-[(1R,2R)-2-methylsulfanylcyclopentyl]-3-phenylpropanamide is sourced from PubChem (CID 97324947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).