1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide

C13H23F3N2O2S — CID 82794651

IUPAC1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C13H23F3N2O2S/c14-13(15,16)12-7-6-11(8-17-12)18-21(19,20)9-10-4-2-1-3-5-10/h10-12,17-18H,1-9H2
InChIKeyGVGFKQDFOCTXNT-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.17
Rot. Bonds4

About 1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide

1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide (PubChem CID 82794651) has the molecular formula C13H23F3N2O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
PubChem CID82794651
Molecular FormulaC13H23F3N2O2S
Molecular Weight328.40 g/mol
Exact Mass328.14
IUPAC Name1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C13H23F3N2O2S/c14-13(15,16)12-7-6-11(8-17-12)18-21(19,20)9-10-4-2-1-3-5-10/h10-12,17-18H,1-9H2
InChIKeyGVGFKQDFOCTXNT-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide (CID 82794651) is 1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide is O=S(=O)(CC1CCCCC1)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is GVGFKQDFOCTXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2S/c14-13(15,16)12-7-6-11(8-17-12)18-21(19,20)9-10-4-2-1-3-5-10/h10-12,17-18H,1-9H2.
What are the key properties of 1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 82794651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).