1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone

C19H30N2O3S — CID 110804913

IUPAC1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)Cc2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C19H30N2O3S/c1-6-11-25(23,24)21-9-7-20(8-10-21)19(22)13-18-16(4)14(2)12-15(3)17(18)5/h12H,6-11,13H2,1-5H3
InChIKeyDKUSRLHHZTVRES-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone

1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone (PubChem CID 110804913) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
PubChem CID110804913
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)Cc2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C19H30N2O3S/c1-6-11-25(23,24)21-9-7-20(8-10-21)19(22)13-18-16(4)14(2)12-15(3)17(18)5/h12H,6-11,13H2,1-5H3
InChIKeyDKUSRLHHZTVRES-UHFFFAOYSA-N
XLogP2.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 110768031
2-(3,4-dimethylphenyl)-1-(4-propylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110810266
2-(1-methylpyrrol-3-yl)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 110804918
N-propyl-4-[2-(2,3,5,6-tetramethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813853
1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 98019528
2-(5-chloro-2-methoxyphenyl)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 110804904
1-(4-butylsulfonylpiperazin-1-yl)-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110805029
1-(4-butylsulfonyl-1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)ethanone
CID 110810321
1-(4-ethylsulfonylpiperazin-1-yl)-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110804747
2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 1151700
1-(1,4-diazepan-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 94698726
1-(4-butylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 110364897

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone?
The IUPAC name of 1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone (CID 110804913) is 1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone.
What is the SMILES notation for 1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone?
The canonical SMILES for 1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone is CCCS(=O)(=O)N1CCN(C(=O)Cc2c(C)c(C)cc(C)c2C)CC1.
What is the InChIKey of 1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone?
The InChIKey is DKUSRLHHZTVRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-6-11-25(23,24)21-9-7-20(8-10-21)19(22)13-18-16(4)14(2)12-15(3)17(18)5/h12H,6-11,13H2,1-5H3.
What are the key properties of 1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone?
1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone has a molecular weight of 366.53 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone is sourced from PubChem (CID 110804913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).