1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine

C13H21F3N4O2S — CID 126771185

IUPAC1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCN(C(C)C(F)(F)F)CC2)c1
InChIInChI=1S/C13H21F3N4O2S/c1-10(2)19-8-12(17-9-19)23(21,22)20-6-4-18(5-7-20)11(3)13(14,15)16/h8-11H,4-7H2,1-3H3
InChIKeyIBIFARZVMPHSFE-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.72
Rot. Bonds4

About 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine

1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine (PubChem CID 126771185) has the molecular formula C13H21F3N4O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine.

Molecular Properties

Compound Name1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine
PubChem CID126771185
Molecular FormulaC13H21F3N4O2S
Molecular Weight354.40 g/mol
Exact Mass354.13
IUPAC Name1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCN(C(C)C(F)(F)F)CC2)c1
InChIInChI=1S/C13H21F3N4O2S/c1-10(2)19-8-12(17-9-19)23(21,22)20-6-4-18(5-7-20)11(3)13(14,15)16/h8-11H,4-7H2,1-3H3
InChIKeyIBIFARZVMPHSFE-UHFFFAOYSA-N
XLogP1.72
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione
CID 119105849
2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342554
(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53007812
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole
CID 121178903
1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 109379638
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122337639
4-(3-methylpyrazol-1-yl)-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122344938
(3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073466
N-(3-fluoro-4-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085593
1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine
CID 126892901
N-(4-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085553
2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914434

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine?
The IUPAC name of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine (CID 126771185) is 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine.
What is the SMILES notation for 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine?
The canonical SMILES for 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine is CC(C)n1cnc(S(=O)(=O)N2CCN(C(C)C(F)(F)F)CC2)c1.
What is the InChIKey of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine?
The InChIKey is IBIFARZVMPHSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O2S/c1-10(2)19-8-12(17-9-19)23(21,22)20-6-4-18(5-7-20)11(3)13(14,15)16/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine?
1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine has a molecular weight of 354.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine is sourced from PubChem (CID 126771185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).