N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide

C13H22N2O3S — CID 42949879

IUPACN-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C13H22N2O3S/c1-19(17,18)15-9-7-12(8-10-15)14-13(16)11-5-3-2-4-6-11/h2-3,11-12H,4-10H2,1H3,(H,14,16)
InChIKeyLWZAZBKAVNAVCJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.88
Rot. Bonds3

About N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide

N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 42949879) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
PubChem CID42949879
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C13H22N2O3S/c1-19(17,18)15-9-7-12(8-10-15)14-13(16)11-5-3-2-4-6-11/h2-3,11-12H,4-10H2,1H3,(H,14,16)
InChIKeyLWZAZBKAVNAVCJ-UHFFFAOYSA-N
XLogP0.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide (CID 42949879) is N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide is CS(=O)(=O)N1CCC(NC(=O)C2CC=CCC2)CC1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is LWZAZBKAVNAVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-19(17,18)15-9-7-12(8-10-15)14-13(16)11-5-3-2-4-6-11/h2-3,11-12H,4-10H2,1H3,(H,14,16).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide?
N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42949879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).