1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one

C15H22N2O3S — CID 103823680

IUPAC1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one
SMILESCCC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2C)c1
InChIInChI=1S/C15H22N2O3S/c1-4-15(18)13-6-5-7-14(10-13)21(19,20)17-9-8-16(3)11-12(17)2/h5-7,10,12H,4,8-9,11H2,1-3H3
InChIKeyFMCOTAVKQSDHAJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.60
Rot. Bonds4

About 1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one

1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one (PubChem CID 103823680) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one
PubChem CID103823680
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one
SMILESCCC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2C)c1
InChIInChI=1S/C15H22N2O3S/c1-4-15(18)13-6-5-7-14(10-13)21(19,20)17-9-8-16(3)11-12(17)2/h5-7,10,12H,4,8-9,11H2,1-3H3
InChIKeyFMCOTAVKQSDHAJ-UHFFFAOYSA-N
XLogP1.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one
CID 61253737
(2S,3S)-2-methyl-1-(3-propanoylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105236
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride
CID 119959947
1-[3-[2-(trifluoromethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-one
CID 136554850
[(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 97094162
3-propanoylbenzenesulfonic acid
CID 148597255
4-(2,4-dimethylpiperazin-1-yl)sulfonylphenol
CID 114086849
1-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-one
CID 115965497
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one
CID 60873455
N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide
CID 60873622
4-(3-propanoylphenyl)sulfonylpiperazine-1-carbaldehyde
CID 39447843

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one?
The IUPAC name of 1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one (CID 103823680) is 1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one.
What is the SMILES notation for 1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one?
The canonical SMILES for 1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one is CCC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2C)c1.
What is the InChIKey of 1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one?
The InChIKey is FMCOTAVKQSDHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-15(18)13-6-5-7-14(10-13)21(19,20)17-9-8-16(3)11-12(17)2/h5-7,10,12H,4,8-9,11H2,1-3H3.
What are the key properties of 1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one?
1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one has a molecular weight of 310.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one is sourced from PubChem (CID 103823680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).