N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide

C16H25F3N4O2S — CID 128577152

IUPACN-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide
SMILESCn1ccnc1N1CCC(NS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H25F3N4O2S/c1-22-11-8-20-15(22)23-9-6-13(7-10-23)21-26(24,25)14-4-2-12(3-5-14)16(17,18)19/h8,11-14,21H,2-7,9-10H2,1H3
InChIKeyTVROZDKSIJQSMN-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.43
Rot. Bonds4

About N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide

N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide (PubChem CID 128577152) has the molecular formula C16H25F3N4O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide
PubChem CID128577152
Molecular FormulaC16H25F3N4O2S
Molecular Weight394.46 g/mol
Exact Mass394.17
IUPAC NameN-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide
SMILESCn1ccnc1N1CCC(NS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H25F3N4O2S/c1-22-11-8-20-15(22)23-9-6-13(7-10-23)21-26(24,25)14-4-2-12(3-5-14)16(17,18)19/h8,11-14,21H,2-7,9-10H2,1H3
InChIKeyTVROZDKSIJQSMN-UHFFFAOYSA-N
XLogP2.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4,4-Difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine
CID 58561848
4-Cyclohexyl-1-(3-methylimidazol-3-ium-1-yl)sulfonylpiperidine;trifluoromethanesulfonate
CID 156153352
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine
CID 43628938
2-(2-Imidazol-1-ylethyl)-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 70771674
N-[2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 78899384
2-Methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine;hydroiodide
CID 109636468
2-Methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine
CID 109636469
1-(2-Imidazol-1-ylethyl)-2-methyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine;hydroiodide
CID 109636936
1-(2-Imidazol-1-ylethyl)-2-methyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine
CID 109636937
1-(3-Imidazol-1-ylpropyl)-2-methyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine;hydroiodide
CID 109637182
1-(3-Imidazol-1-ylpropyl)-2-methyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine
CID 109637183
1-Ethyl-2-(2-imidazol-1-ylethyl)-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine;hydroiodide
CID 109637220

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide (CID 128577152) is N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide is Cn1ccnc1N1CCC(NS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide?
The InChIKey is TVROZDKSIJQSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O2S/c1-22-11-8-20-15(22)23-9-6-13(7-10-23)21-26(24,25)14-4-2-12(3-5-14)16(17,18)19/h8,11-14,21H,2-7,9-10H2,1H3.
What are the key properties of N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide?
N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide has a molecular weight of 394.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide is sourced from PubChem (CID 128577152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).