1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide

C12H22N2O3S — CID 168716348

IUPAC1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC1CCCC(N2CC(S(N)(=O)=O)CC2=O)C1C
InChIInChI=1S/C12H22N2O3S/c1-8-4-3-5-11(9(8)2)14-7-10(6-12(14)15)18(13,16)17/h8-11H,3-7H2,1-2H3,(H2,13,16,17)
InChIKeyROBIPYPUDRGNRB-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.70
Rot. Bonds2

About 1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide

1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716348) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716348
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC1CCCC(N2CC(S(N)(=O)=O)CC2=O)C1C
InChIInChI=1S/C12H22N2O3S/c1-8-4-3-5-11(9(8)2)14-7-10(6-12(14)15)18(13,16)17/h8-11H,3-7H2,1-2H3,(H2,13,16,17)
InChIKeyROBIPYPUDRGNRB-UHFFFAOYSA-N
XLogP0.70
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710836
1-(2-aminocyclohexyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716381
1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716390
[1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674616
5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide
CID 168718088
tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate
CID 168716353
S-[1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704185
[(2S)-1-amino-1-oxopropan-2-yl] (3R)-1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
CID 11928807
4-(azidomethyl)-1-(2,3-dimethylcyclohexyl)pyrrolidin-2-one
CID 168655381
[1-(2-methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680112
(3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide
CID 25388927
[2-(methylamino)-2-oxoethyl] (3R)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
CID 11927869

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide (CID 168716348) is 1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide is CC1CCCC(N2CC(S(N)(=O)=O)CC2=O)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is ROBIPYPUDRGNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-8-4-3-5-11(9(8)2)14-7-10(6-12(14)15)18(13,16)17/h8-11H,3-7H2,1-2H3,(H2,13,16,17).
What are the key properties of 1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).