[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone

C17H24N2O3S — CID 16583532

IUPAC[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3CC3C)CC2)c1
InChIInChI=1S/C17H24N2O3S/c1-12-4-5-13(2)16(10-12)23(21,22)19-8-6-18(7-9-19)17(20)15-11-14(15)3/h4-5,10,14-15H,6-9,11H2,1-3H3
InChIKeySDADQMYIQRNNHK-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.79
Rot. Bonds3

About [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone

[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone (PubChem CID 16583532) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
PubChem CID16583532
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3CC3C)CC2)c1
InChIInChI=1S/C17H24N2O3S/c1-12-4-5-13(2)16(10-12)23(21,22)19-8-6-18(7-9-19)17(20)15-11-14(15)3/h4-5,10,14-15H,6-9,11H2,1-3H3
InChIKeySDADQMYIQRNNHK-UHFFFAOYSA-N
XLogP1.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 8933910
Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660
3,3-Dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 2106955
Cyclohexyl(4-(3,5-dimethylphenylsulfonyl)piperazin-1-yl)methanone
CID 24944970
(4-(Biphenyl-3-ylsulfonyl)piperazin-1-yl)(cyclohexyl)methanone
CID 24944973
4-methyl-N-[4-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide
CID 3447109
[1-(4-Methylphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 4522044
2-[4-(3-Cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 9207603
[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 17395891
1-[4-[1-[2-(Trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 2394568
2-[4-(Cyclohexanecarbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3847373

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone (CID 16583532) is [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3CC3C)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is SDADQMYIQRNNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12-4-5-13(2)16(10-12)23(21,22)19-8-6-18(7-9-19)17(20)15-11-14(15)3/h4-5,10,14-15H,6-9,11H2,1-3H3.
What are the key properties of [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone?
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone has a molecular weight of 336.46 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 16583532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).