(2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide

C13H22N4OS — CID 104907460

IUPAC(2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC1CCCC1n1ccnc1
InChIInChI=1S/C13H22N4OS/c1-19-8-5-10(14)13(18)16-11-3-2-4-12(11)17-7-6-15-9-17/h6-7,9-12H,2-5,8,14H2,1H3,(H,16,18)/t10-,11?,12?/m1/s1
InChIKeyFXNBYAJCHSGYNK-VOMCLLRMSA-N
MW282.41 g/mol
LogP1.17
Rot. Bonds6

About (2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide (PubChem CID 104907460) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide
PubChem CID104907460
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name(2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC1CCCC1n1ccnc1
InChIInChI=1S/C13H22N4OS/c1-19-8-5-10(14)13(18)16-11-3-2-4-12(11)17-7-6-15-9-17/h6-7,9-12H,2-5,8,14H2,1H3,(H,16,18)/t10-,11?,12?/m1/s1
InChIKeyFXNBYAJCHSGYNK-VOMCLLRMSA-N
XLogP1.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2-imidazol-1-ylcyclopentyl)-3-methylbutanamide
CID 65229653
2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119343697
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61177899
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
2-imidazol-1-yl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43734339
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 115459210
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]acetamide
CID 136587530
(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide
CID 104907401
N-(2-imidazol-1-ylcyclopentyl)-2-methylpiperidine-2-carboxamide
CID 104596326
2-imidazol-1-yl-N-pentan-2-ylcyclopentan-1-amine
CID 43734394

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide (CID 104907460) is (2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NC1CCCC1n1ccnc1.
What is the InChIKey of (2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide?
The InChIKey is FXNBYAJCHSGYNK-VOMCLLRMSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-19-8-5-10(14)13(18)16-11-3-2-4-12(11)17-7-6-15-9-17/h6-7,9-12H,2-5,8,14H2,1H3,(H,16,18)/t10-,11?,12?/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide has a molecular weight of 282.41 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-imidazol-1-ylcyclopentyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104907460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).