1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C10H17F3N2O3S — CID 90500445

IUPAC1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O3S/c1-2-19(17,18)15-5-3-8(4-6-15)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyPURSIORRHHQWFN-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.73
Rot. Bonds4

About 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 90500445) has the molecular formula C10H17F3N2O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID90500445
Molecular FormulaC10H17F3N2O3S
Molecular Weight302.32 g/mol
Exact Mass302.09
IUPAC Name1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O3S/c1-2-19(17,18)15-5-3-8(4-6-15)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyPURSIORRHHQWFN-UHFFFAOYSA-N
XLogP0.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 90500445) is 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is PURSIORRHHQWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3S/c1-2-19(17,18)15-5-3-8(4-6-15)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 302.32 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 90500445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).