1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone

C11H14F3N3OS — CID 47089011

IUPAC1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)19-7-9(18)17-6-2-1-3-8(17)10-15-4-5-16-10/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyMVPCHSREQTWKQK-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.72
Rot. Bonds3

About 1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone

1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone (PubChem CID 47089011) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
PubChem CID47089011
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)19-7-9(18)17-6-2-1-3-8(17)10-15-4-5-16-10/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyMVPCHSREQTWKQK-UHFFFAOYSA-N
XLogP2.72
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazol-2-yl)-1-[3-(methylthio)propanoyl]piperidine
CID 70723520
3-(1H-imidazol-2-yl)-1-(4,4,4-trifluorobutanoyl)piperidine
CID 70783442
2,2-difluoro-2-(1H-imidazol-2-yl)-N-(2-sulfanylethyl)acetamide
CID 177680473
2-methylsulfanyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772032
(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 164637047
2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide
CID 57129056
2-(1H-imidazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 150932236
2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 18695364
1-[(2S)-2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 94795953
1-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 94795954
4,4,4-trifluoro-1-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 96407728
4,4,4-trifluoro-1-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 96407729

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone?
The IUPAC name of 1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone (CID 47089011) is 1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone.
What is the SMILES notation for 1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone?
The canonical SMILES for 1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone is O=C(CSC(F)(F)F)N1CCCCC1c1ncc[nH]1.
What is the InChIKey of 1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone?
The InChIKey is MVPCHSREQTWKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c12-11(13,14)19-7-9(18)17-6-2-1-3-8(17)10-15-4-5-16-10/h4-5,8H,1-3,6-7H2,(H,15,16).
What are the key properties of 1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone?
1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone has a molecular weight of 293.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone is sourced from PubChem (CID 47089011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).