[1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C11H20N2O4S — CID 168680137

IUPAC[1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(C2CCCCC2O)C1
InChIInChI=1S/C11H20N2O4S/c12-18(16,17)7-8-5-11(15)13(6-8)9-3-1-2-4-10(9)14/h8-10,14H,1-7H2,(H2,12,16,17)
InChIKeyLZWCEFFOVXUESA-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.57
Rot. Bonds3

About [1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680137) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is [1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680137
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name[1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(C2CCCCC2O)C1
InChIInChI=1S/C11H20N2O4S/c12-18(16,17)7-8-5-11(15)13(6-8)9-3-1-2-4-10(9)14/h8-10,14H,1-7H2,(H2,12,16,17)
InChIKeyLZWCEFFOVXUESA-UHFFFAOYSA-N
XLogP-0.57
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680112
[5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide
CID 168680639
1-[(1S,2S)-2-hydroxycyclohexyl]-4-sulfanylpyrrolidin-2-one
CID 168707552
[5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168681810
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300
[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680507
1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661550
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
[1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680441
[1-[4-(2-hydroxyethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683084

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680137) is [1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(C2CCCCC2O)C1.
What is the InChIKey of [1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is LZWCEFFOVXUESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c12-18(16,17)7-8-5-11(15)13(6-8)9-3-1-2-4-10(9)14/h8-10,14H,1-7H2,(H2,12,16,17).
What are the key properties of [1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).