N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide

C15H26N2O2S — CID 96529679

IUPACN-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCCS[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCCC1=O
InChIInChI=1S/C15H26N2O2S/c1-2-20-13-8-4-3-7-12(13)16-14(18)11-17-10-6-5-9-15(17)19/h12-13H,2-11H2,1H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyRDFPEMUBZPQIEK-QWHCGFSZSA-N
MW298.45 g/mol
LogP2.18
Rot. Bonds5

About N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 96529679) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID96529679
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCCS[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCCC1=O
InChIInChI=1S/C15H26N2O2S/c1-2-20-13-8-4-3-7-12(13)16-14(18)11-17-10-6-5-9-15(17)19/h12-13H,2-11H2,1H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyRDFPEMUBZPQIEK-QWHCGFSZSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 93451570
N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
CID 119602522
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
2-(2-oxopiperidin-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 78864876
2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119451455
N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide
CID 156603357
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119478869
3-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030936
2-(2-oxopiperidin-1-yl)-N-piperidin-3-ylacetamide
CID 119427764

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 96529679) is N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide is CCS[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCCC1=O.
What is the InChIKey of N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is RDFPEMUBZPQIEK-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-2-20-13-8-4-3-7-12(13)16-14(18)11-17-10-6-5-9-15(17)19/h12-13H,2-11H2,1H3,(H,16,18)/t12-,13+/m0/s1.
What are the key properties of N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 298.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 96529679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).