(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide

C16H24N2OS — CID 103798040

IUPAC(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide
SMILESCCSC1CCCC1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H24N2OS/c1-2-20-15-10-6-9-14(15)18-16(19)13(17)11-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11,17H2,1H3,(H,18,19)/t13-,14?,15?/m0/s1
InChIKeyZHNKZXVWBJUGGP-NFOMZHRRSA-N
MW292.45 g/mol
LogP2.35
Rot. Bonds6

About (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide

(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide (PubChem CID 103798040) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide
PubChem CID103798040
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide
SMILESCCSC1CCCC1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H24N2OS/c1-2-20-15-10-6-9-14(15)18-16(19)13(17)11-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11,17H2,1H3,(H,18,19)/t13-,14?,15?/m0/s1
InChIKeyZHNKZXVWBJUGGP-NFOMZHRRSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

(2R)-2-amino-N-(2-ethylsulfanylcyclopentyl)butanamide
CID 104878228
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274
2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62962908
3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119952204
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119343697
3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide
CID 103581059
(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide
CID 103797412
2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide (CID 103798040) is (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide is CCSC1CCCC1NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide?
The InChIKey is ZHNKZXVWBJUGGP-NFOMZHRRSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-20-15-10-6-9-14(15)18-16(19)13(17)11-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11,17H2,1H3,(H,18,19)/t13-,14?,15?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide has a molecular weight of 292.45 g/mol, XLogP of 2.35, 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-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide is sourced from PubChem (CID 103798040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).