N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide

C13H21F3N4O2S — CID 154739693

IUPACN-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(CCNS(C)(=O)=O)C1
InChIInChI=1S/C13H21F3N4O2S/c1-19-9-11(13(14,15)16)18-12(19)10-4-3-6-20(8-10)7-5-17-23(2,21)22/h9-10,17H,3-8H2,1-2H3
InChIKeyWWHADCUQCDWJRQ-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.17
Rot. Bonds5

About N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide

N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide (PubChem CID 154739693) has the molecular formula C13H21F3N4O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide
PubChem CID154739693
Molecular FormulaC13H21F3N4O2S
Molecular Weight354.40 g/mol
Exact Mass354.13
IUPAC NameN-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(CCNS(C)(=O)=O)C1
InChIInChI=1S/C13H21F3N4O2S/c1-19-9-11(13(14,15)16)18-12(19)10-4-3-6-20(8-10)7-5-17-23(2,21)22/h9-10,17H,3-8H2,1-2H3
InChIKeyWWHADCUQCDWJRQ-UHFFFAOYSA-N
XLogP1.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-(oxetan-3-ylsulfonyl)piperidine
CID 154795526
N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 122138763
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 128978577
3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128978588
5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 129351271
2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129351066
(5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980244
(1-methylpyrazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 129346418
(5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980200
[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128980186
(5-methylpyrazin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128979420
N-[2-(3-aminopiperidin-1-yl)ethyl]methanesulfonamide;hydrochloride
CID 119910084

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide (CID 154739693) is N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide is Cn1cc(C(F)(F)F)nc1C1CCCN(CCNS(C)(=O)=O)C1.
What is the InChIKey of N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is WWHADCUQCDWJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O2S/c1-19-9-11(13(14,15)16)18-12(19)10-4-3-6-20(8-10)7-5-17-23(2,21)22/h9-10,17H,3-8H2,1-2H3.
What are the key properties of N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide?
N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 354.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 154739693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).