N-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide

C12H22N2O3S — CID 110871251

IUPACN-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C2CCCCC2)C1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)14-8-7-11(9-14)13-12(15)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyJUWYGFYARORSIL-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.72
Rot. Bonds3

About N-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide

N-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide (PubChem CID 110871251) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide
PubChem CID110871251
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C2CCCCC2)C1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)14-8-7-11(9-14)13-12(15)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyJUWYGFYARORSIL-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide (CID 110871251) is N-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide is CS(=O)(=O)N1CCC(NC(=O)C2CCCCC2)C1.
What is the InChIKey of N-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide?
The InChIKey is JUWYGFYARORSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-18(16,17)14-8-7-11(9-14)13-12(15)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of N-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide?
N-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpyrrolidin-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 110871251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).