N-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C11H19F3N2O4S — CID 103857345

IUPACN-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O4S/c1-21(19,20)16-4-2-9(3-5-16)10(18)15(6-7-17)8-11(12,13)14/h9,17H,2-8H2,1H3
InChIKeyFWBKJAXQJMKXIQ-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.04
Rot. Bonds5

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

N-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 103857345) has the molecular formula C11H19F3N2O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID103857345
Molecular FormulaC11H19F3N2O4S
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC NameN-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O4S/c1-21(19,20)16-4-2-9(3-5-16)10(18)15(6-7-17)8-11(12,13)14/h9,17H,2-8H2,1H3
InChIKeyFWBKJAXQJMKXIQ-UHFFFAOYSA-N
XLogP0.04
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 103857345) is N-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)N(CCO)CC(F)(F)F)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is FWBKJAXQJMKXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O4S/c1-21(19,20)16-4-2-9(3-5-16)10(18)15(6-7-17)8-11(12,13)14/h9,17H,2-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 103857345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).