4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine

C13H24F3N3O2S — CID 167049330

IUPAC4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine
SMILESNS(=O)(=O)N(CC1CCC(C(F)(F)F)CC1)C1CCNCC1
InChIInChI=1S/C13H24F3N3O2S/c14-13(15,16)11-3-1-10(2-4-11)9-19(22(17,20)21)12-5-7-18-8-6-12/h10-12,18H,1-9H2,(H2,17,20,21)
InChIKeyLVPWNXUROSATAB-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.61
Rot. Bonds4

About 4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine

4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine (PubChem CID 167049330) has the molecular formula C13H24F3N3O2S and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine.

Molecular Properties

Compound Name4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine
PubChem CID167049330
Molecular FormulaC13H24F3N3O2S
Molecular Weight343.42 g/mol
Exact Mass343.15
IUPAC Name4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine
SMILESNS(=O)(=O)N(CC1CCC(C(F)(F)F)CC1)C1CCNCC1
InChIInChI=1S/C13H24F3N3O2S/c14-13(15,16)11-3-1-10(2-4-11)9-19(22(17,20)21)12-5-7-18-8-6-12/h10-12,18H,1-9H2,(H2,17,20,21)
InChIKeyLVPWNXUROSATAB-UHFFFAOYSA-N
XLogP1.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-3-methylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 97820897
4-[(4,4-Difluorocyclohexyl)methyl-sulfamoylamino]piperidine
CID 167049362
4-[2,2-Difluoro-1-(sulfinatoamino)propyl]piperidine
CID 170342672
N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide
CID 43598115
N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide
CID 43598118
N-(cyclohexylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43775656
N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 54906896
N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 54907079
N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 54907081
N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide
CID 61252928
N-[2-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide
CID 61252929
N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide
CID 61254499

Frequently Asked Questions

What is the IUPAC name of 4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine?
The IUPAC name of 4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine (CID 167049330) is 4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine.
What is the SMILES notation for 4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine?
The canonical SMILES for 4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine is NS(=O)(=O)N(CC1CCC(C(F)(F)F)CC1)C1CCNCC1.
What is the InChIKey of 4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine?
The InChIKey is LVPWNXUROSATAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O2S/c14-13(15,16)11-3-1-10(2-4-11)9-19(22(17,20)21)12-5-7-18-8-6-12/h10-12,18H,1-9H2,(H2,17,20,21).
What are the key properties of 4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine?
4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine has a molecular weight of 343.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[sulfamoyl-[[4-(trifluoromethyl)cyclohexyl]methyl]amino]piperidine is sourced from PubChem (CID 167049330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).