N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide

C16H24N2OS — CID 124681039

IUPACN-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide
SMILESCCS[C@H]1CCC[C@H]1NCC(=O)NCc1ccccc1
InChIInChI=1S/C16H24N2OS/c1-2-20-15-10-6-9-14(15)17-12-16(19)18-11-13-7-4-3-5-8-13/h3-5,7-8,14-15,17H,2,6,9-12H2,1H3,(H,18,19)/t14-,15+/m1/s1
InChIKeySLAACSBZTKIVHG-CABCVRRESA-N
MW292.45 g/mol
LogP2.57
Rot. Bonds7

About N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide

N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide (PubChem CID 124681039) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide
PubChem CID124681039
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide
SMILESCCS[C@H]1CCC[C@H]1NCC(=O)NCc1ccccc1
InChIInChI=1S/C16H24N2OS/c1-2-20-15-10-6-9-14(15)17-12-16(19)18-11-13-7-4-3-5-8-13/h3-5,7-8,14-15,17H,2,6,9-12H2,1H3,(H,18,19)/t14-,15+/m1/s1
InChIKeySLAACSBZTKIVHG-CABCVRRESA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(2-tert-butylcyclohexyl)amino]acetamide
CID 55868668
N-benzyl-2-[(2,6-dimethylcyclohexyl)amino]acetamide
CID 60972200
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid
CID 114121676
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide
CID 103798040
N-benzyl-2-[(2,2-dimethylcyclopentyl)amino]acetamide
CID 79859713
N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 65073911
N-benzyl-2-[(4-hydroxycyclohexyl)amino]acetamide
CID 103601287
N-benzyl-2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetamide
CID 61488975
2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 112770347
2-benzylsulfanyl-N-ethylcyclohexan-1-amine
CID 64621977

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide (CID 124681039) is N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide is CCS[C@H]1CCC[C@H]1NCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide?
The InChIKey is SLAACSBZTKIVHG-CABCVRRESA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-20-15-10-6-9-14(15)17-12-16(19)18-11-13-7-4-3-5-8-13/h3-5,7-8,14-15,17H,2,6,9-12H2,1H3,(H,18,19)/t14-,15+/m1/s1.
What are the key properties of N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide?
N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide has a molecular weight of 292.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide is sourced from PubChem (CID 124681039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).