1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide

C17H26N2O3S — CID 31363858

IUPAC1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2C)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-23(21,22)19-12-9-16(10-13-19)17(20)18-11-8-15-7-5-4-6-14(15)2/h4-7,16H,3,8-13H2,1-2H3,(H,18,20)
InChIKeyAYKJZVCETDCJIC-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.72
Rot. Bonds6

About 1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide

1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 31363858) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID31363858
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2C)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-23(21,22)19-12-9-16(10-13-19)17(20)18-11-8-15-7-5-4-6-14(15)2/h4-7,16H,3,8-13H2,1-2H3,(H,18,20)
InChIKeyAYKJZVCETDCJIC-UHFFFAOYSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide (CID 31363858) is 1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2C)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is AYKJZVCETDCJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-23(21,22)19-12-9-16(10-13-19)17(20)18-11-8-15-7-5-4-6-14(15)2/h4-7,16H,3,8-13H2,1-2H3,(H,18,20).
What are the key properties of 1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 31363858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).