1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one

C15H25F3N2O3S — CID 136546307

IUPAC1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one
SMILESCC(C)CN1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1=O
InChIInChI=1S/C15H25F3N2O3S/c1-11(2)9-19-7-8-20(10-14(19)21)24(22,23)13-5-3-12(4-6-13)15(16,17)18/h11-13H,3-10H2,1-2H3
InChIKeySKGDBLIEVXJJLG-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.24
Rot. Bonds4

About 1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one

1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one (PubChem CID 136546307) has the molecular formula C15H25F3N2O3S and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one
PubChem CID136546307
Molecular FormulaC15H25F3N2O3S
Molecular Weight370.44 g/mol
Exact Mass370.15
IUPAC Name1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one
SMILESCC(C)CN1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1=O
InChIInChI=1S/C15H25F3N2O3S/c1-11(2)9-19-7-8-20(10-14(19)21)24(22,23)13-5-3-12(4-6-13)15(16,17)18/h11-13H,3-10H2,1-2H3
InChIKeySKGDBLIEVXJJLG-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-Ethylbutylsulfonyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 56789891
2-(4-Pentylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 86936853
1-[4-(Cyclohexylmethylsulfonyl)piperazin-1-yl]ethanone
CID 89779791
4-(Cyclopentylmethylsulfonyl)-1-(2-methylpropyl)piperazin-2-one
CID 126811607
4-(Cyclohexylmethylsulfonyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
CID 146126567

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one (CID 136546307) is 1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one is CC(C)CN1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one?
The InChIKey is SKGDBLIEVXJJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O3S/c1-11(2)9-19-7-8-20(10-14(19)21)24(22,23)13-5-3-12(4-6-13)15(16,17)18/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one?
1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one has a molecular weight of 370.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 136546307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).