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

C14H24N2O3S — CID 71796763

IUPACN-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C14H24N2O3S/c1-20(18,19)16-9-7-12(8-10-16)11-15-14(17)13-5-3-2-4-6-13/h2-3,12-13H,4-11H2,1H3,(H,15,17)
InChIKeyRZJMQYUSGOPQJG-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.13
Rot. Bonds4

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

N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71796763) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID71796763
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C14H24N2O3S/c1-20(18,19)16-9-7-12(8-10-16)11-15-14(17)13-5-3-2-4-6-13/h2-3,12-13H,4-11H2,1H3,(H,15,17)
InChIKeyRZJMQYUSGOPQJG-UHFFFAOYSA-N
XLogP1.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.13
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)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 71796763) is N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide is CS(=O)(=O)N1CCC(CNC(=O)C2CC=CCC2)CC1.
What is the InChIKey of N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is RZJMQYUSGOPQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-20(18,19)16-9-7-12(8-10-16)11-15-14(17)13-5-3-2-4-6-13/h2-3,12-13H,4-11H2,1H3,(H,15,17).
What are the key properties of N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 300.42 g/mol, XLogP of 1.13, 4 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)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71796763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).