1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

C14H23F3N2O3S — CID 43046836

IUPAC1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O3S/c1-23(21,22)19-8-6-10(7-9-19)13(20)18-12-5-3-2-4-11(12)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)
InChIKeyKJYUUBMOPNNIFC-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.90
Rot. Bonds3

About 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 43046836) has the molecular formula C14H23F3N2O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
PubChem CID43046836
Molecular FormulaC14H23F3N2O3S
Molecular Weight356.41 g/mol
Exact Mass356.14
IUPAC Name1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O3S/c1-23(21,22)19-8-6-10(7-9-19)13(20)18-12-5-3-2-4-11(12)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)
InChIKeyKJYUUBMOPNNIFC-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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Related Compounds

N-cyclohexyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236575
N-(2-methylcyclohexyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3238894
N-(4-methylcyclohexyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3242270
1-(methylsulfonyl)-N-(propan-2-yl)piperidine-4-carboxamide
CID 3152846
N-cyclohexyl-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892626
1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 3331250
1-(ethanesulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 4205243
1-(diethylsulfamoyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 4320916
N-(butan-2-yl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 3157092
2,2-difluoro-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 132386163
1-tert-butylsulfanyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 163294713
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 24658659

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (CID 43046836) is 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C(F)(F)F)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is KJYUUBMOPNNIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3S/c1-23(21,22)19-8-6-10(7-9-19)13(20)18-12-5-3-2-4-11(12)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20).
What are the key properties of 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-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 1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 43046836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).