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

C11H19F3N2O3S — CID 90500446

IUPAC1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O3S/c1-2-7-20(18,19)16-5-3-9(4-6-16)10(17)15-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyUQFJSLICHWUBQS-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.12
Rot. Bonds5

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

1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 90500446) has the molecular formula C11H19F3N2O3S and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID90500446
Molecular FormulaC11H19F3N2O3S
Molecular Weight316.35 g/mol
Exact Mass316.11
IUPAC Name1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O3S/c1-2-7-20(18,19)16-5-3-9(4-6-16)10(17)15-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyUQFJSLICHWUBQS-UHFFFAOYSA-N
XLogP1.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 90500446) is 1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is UQFJSLICHWUBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3S/c1-2-7-20(18,19)16-5-3-9(4-6-16)10(17)15-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of 1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 316.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 90500446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).