1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one

C10H17NO2S — CID 168707552

IUPAC1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H17NO2S/c12-9-4-2-1-3-8(9)11-6-7(14)5-10(11)13/h7-9,12,14H,1-6H2/t7?,8-,9-/m0/s1
InChIKeyAAPHDXZLEHKWNJ-NPPUSCPJSA-N
MW215.32 g/mol
LogP0.82
Rot. Bonds1

About 1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one

1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one (PubChem CID 168707552) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one
PubChem CID168707552
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H17NO2S/c12-9-4-2-1-3-8(9)11-6-7(14)5-10(11)13/h7-9,12,14H,1-6H2/t7?,8-,9-/m0/s1
InChIKeyAAPHDXZLEHKWNJ-NPPUSCPJSA-N
XLogP0.82
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680137
3-(2-hydroxycyclohexyl)-1,3-oxazolidin-2-one
CID 22949482
1-(1-acetylpiperidin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168708103
(9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 102280583
1-(2-hydroxycyclohexyl)azepane-2,7-dione
CID 60884902
1-(4-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709982
1-[(1S,2S)-2-hydroxycyclopentyl]-4-methylpiperazine-2,5-dione
CID 102735220
1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one
CID 67105616
1-(1,3-dihydroxypropan-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709223
1-(7-bicyclo[4.1.0]heptanyl)-4-hydroxypyrrolidin-2-one
CID 130874919
[2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrimidin-5-yl]boronic acid
CID 168710746
ethyl 4-(2-oxo-4-sulfanylpyrrolidin-1-yl)piperidine-1-carboxylate
CID 168708224

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one (CID 168707552) is 1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one?
The InChIKey is AAPHDXZLEHKWNJ-NPPUSCPJSA-N. The full InChI is InChI=1S/C10H17NO2S/c12-9-4-2-1-3-8(9)11-6-7(14)5-10(11)13/h7-9,12,14H,1-6H2/t7?,8-,9-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one?
1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one has a molecular weight of 215.32 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168707552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).