3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide

C14H25F3N2O2S — CID 86922602

IUPAC3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C14H25F3N2O2S/c1-10-6-11(2)9-19(8-10)22(20,21)18-13-5-3-4-12(7-13)14(15,16)17/h10-13,18H,3-9H2,1-2H3
InChIKeyRKMRKDGXBSLDDI-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.92
Rot. Bonds3

About 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide

3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide (PubChem CID 86922602) has the molecular formula C14H25F3N2O2S and a molecular weight of 342.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide
PubChem CID86922602
Molecular FormulaC14H25F3N2O2S
Molecular Weight342.43 g/mol
Exact Mass342.16
IUPAC Name3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C14H25F3N2O2S/c1-10-6-11(2)9-19(8-10)22(20,21)18-13-5-3-4-12(7-13)14(15,16)17/h10-13,18H,3-9H2,1-2H3
InChIKeyRKMRKDGXBSLDDI-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 127770386
Methanamine;1-[3-(trifluoromethyl)cyclohexyl]piperidine
CID 142330299
1,1-Difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane
CID 167049000
1-[[Propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane
CID 167049007
4-[Sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine
CID 167049330
4-[(4,4-Difluorocyclohexyl)methyl-sulfamoylamino]piperidine
CID 167049362
4-[2,2-Difluoro-1-(sulfinatoamino)propyl]piperidine
CID 170342672
N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747385
1-(Diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53524276
1-(Dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53526125
N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide
CID 61252928
N-[2-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide
CID 61252929

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide (CID 86922602) is 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide?
The InChIKey is RKMRKDGXBSLDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2S/c1-10-6-11(2)9-19(8-10)22(20,21)18-13-5-3-4-12(7-13)14(15,16)17/h10-13,18H,3-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide?
3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide has a molecular weight of 342.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-sulfonamide is sourced from PubChem (CID 86922602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).