4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C11H19F3N2OS — CID 155455807

IUPAC4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(S)N1CCC(C)(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2OS/c1-8(18)16-5-3-10(2,4-6-16)9(17)15-7-11(12,13)14/h8,18H,3-7H2,1-2H3,(H,15,17)
InChIKeyRQILJLKFCUVARF-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.04
Rot. Bonds3

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

4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 155455807) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is 4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID155455807
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC Name4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(S)N1CCC(C)(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2OS/c1-8(18)16-5-3-10(2,4-6-16)9(17)15-7-11(12,13)14/h8,18H,3-7H2,1-2H3,(H,15,17)
InChIKeyRQILJLKFCUVARF-UHFFFAOYSA-N
XLogP2.04
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 155455807) is 4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CC(S)N1CCC(C)(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is RQILJLKFCUVARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c1-8(18)16-5-3-10(2,4-6-16)9(17)15-7-11(12,13)14/h8,18H,3-7H2,1-2H3,(H,15,17).
What are the key properties of 4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 284.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-sulfanylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155455807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).