N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide

C17H32N2O3S — CID 3238260

IUPACN-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NC2CCCC(C)C2C)CC1
InChIInChI=1S/C17H32N2O3S/c1-4-12-23(21,22)19-10-8-15(9-11-19)17(20)18-16-7-5-6-13(2)14(16)3/h13-16H,4-12H2,1-3H3,(H,18,20)
InChIKeyMUINHKQMRZPMSK-UHFFFAOYSA-N
MW344.52 g/mol
LogP2.38
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide

N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 3238260) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID3238260
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NC2CCCC(C)C2C)CC1
InChIInChI=1S/C17H32N2O3S/c1-4-12-23(21,22)19-10-8-15(9-11-19)17(20)18-16-7-5-6-13(2)14(16)3/h13-16H,4-12H2,1-3H3,(H,18,20)
InChIKeyMUINHKQMRZPMSK-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide (CID 3238260) is N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NC2CCCC(C)C2C)CC1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is MUINHKQMRZPMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-4-12-23(21,22)19-10-8-15(9-11-19)17(20)18-16-7-5-6-13(2)14(16)3/h13-16H,4-12H2,1-3H3,(H,18,20).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 344.52 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3238260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).