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

C16H30N2O3S — CID 3625500

IUPACN-(2,3-dimethylcyclohexyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CCCC(C)C2C)CC1
InChIInChI=1S/C16H30N2O3S/c1-4-22(20,21)18-10-8-14(9-11-18)16(19)17-15-7-5-6-12(2)13(15)3/h12-15H,4-11H2,1-3H3,(H,17,19)
InChIKeyZSSNTIXKWROWFU-UHFFFAOYSA-N
MW330.49 g/mol
LogP1.99
Rot. Bonds4

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

N-(2,3-dimethylcyclohexyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 3625500) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID3625500
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CCCC(C)C2C)CC1
InChIInChI=1S/C16H30N2O3S/c1-4-22(20,21)18-10-8-14(9-11-18)16(19)17-15-7-5-6-12(2)13(15)3/h12-15H,4-11H2,1-3H3,(H,17,19)
InChIKeyZSSNTIXKWROWFU-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 51.99
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-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 3625500) is N-(2,3-dimethylcyclohexyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NC2CCCC(C)C2C)CC1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZSSNTIXKWROWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-4-22(20,21)18-10-8-14(9-11-18)16(19)17-15-7-5-6-12(2)13(15)3/h12-15H,4-11H2,1-3H3,(H,17,19).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 330.49 g/mol, XLogP of 1.99, 4 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-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3625500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).