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

C17H24N2O3S — CID 17395891

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

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

[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone (PubChem CID 17395891) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
PubChem CID17395891
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3C)CC2)c(C)c1
InChIInChI=1S/C17H24N2O3S/c1-12-4-5-16(14(3)10-12)23(21,22)19-8-6-18(7-9-19)17(20)15-11-13(15)2/h4-5,10,13,15H,6-9,11H2,1-3H3
InChIKeyKVQORIWDAVLOLB-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
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4787641
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 8933910
4-Methyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 751041
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
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918
N-(cyclohexylmethyl)-1-(2,4-dimethylbenzenesulfonyl)piperidine-4-carboxamide
CID 24241093
Cyclohexyl(4-(3,5-dimethylphenylsulfonyl)piperazin-1-yl)methanone
CID 24944970
N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26413325
N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26697387

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone (CID 17395891) is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3C)CC2)c(C)c1.
What is the InChIKey of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is KVQORIWDAVLOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12-4-5-16(14(3)10-12)23(21,22)19-8-6-18(7-9-19)17(20)15-11-13(15)2/h4-5,10,13,15H,6-9,11H2,1-3H3.
What are the key properties of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone?
[4-(2,4-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-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 17395891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).