N-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide

C16H30N2O3S — CID 3242270

IUPACN-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NC2CCC(C)CC2)CC1
InChIInChI=1S/C16H30N2O3S/c1-3-12-22(20,21)18-10-8-14(9-11-18)16(19)17-15-6-4-13(2)5-7-15/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyAFKFUBALTAKYJD-UHFFFAOYSA-N
MW330.49 g/mol
LogP2.13
Rot. Bonds5

About N-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide

N-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 3242270) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID3242270
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC NameN-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NC2CCC(C)CC2)CC1
InChIInChI=1S/C16H30N2O3S/c1-3-12-22(20,21)18-10-8-14(9-11-18)16(19)17-15-6-4-13(2)5-7-15/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyAFKFUBALTAKYJD-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide (CID 3242270) is N-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NC2CCC(C)CC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is AFKFUBALTAKYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-3-12-22(20,21)18-10-8-14(9-11-18)16(19)17-15-6-4-13(2)5-7-15/h13-15H,3-12H2,1-2H3,(H,17,19).
What are the key properties of N-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide?
N-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 330.49 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3242270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).