N-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H23F3N2O3S — CID 47910376

IUPACN-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)C2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O3S/c1-23(21,22)19-8-4-5-10(9-19)18-13(20)11-6-2-3-7-12(11)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)
InChIKeyREXJZVNIVJPCQR-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.90
Rot. Bonds3

About N-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 47910376) has the molecular formula C14H23F3N2O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID47910376
Molecular FormulaC14H23F3N2O3S
Molecular Weight356.41 g/mol
Exact Mass356.14
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)C2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O3S/c1-23(21,22)19-8-4-5-10(9-19)18-13(20)11-6-2-3-7-12(11)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)
InChIKeyREXJZVNIVJPCQR-UHFFFAOYSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 47910376) is N-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)C2CCCCC2C(F)(F)F)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is REXJZVNIVJPCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3S/c1-23(21,22)19-8-4-5-10(9-19)18-13(20)11-6-2-3-7-12(11)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 47910376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).