2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol

C15H24N2O3S — CID 131944827

IUPAC2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCN(C)C(CCO)C2)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-12-4-5-15(13(2)10-12)21(19,20)17-8-7-16(3)14(11-17)6-9-18/h4-5,10,14,18H,6-9,11H2,1-3H3
InChIKeyGGYBWCZBWQYCPZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.99
Rot. Bonds4

About 2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol

2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol (PubChem CID 131944827) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol
PubChem CID131944827
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCN(C)C(CCO)C2)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-12-4-5-15(13(2)10-12)21(19,20)17-8-7-16(3)14(11-17)6-9-18/h4-5,10,14,18H,6-9,11H2,1-3H3
InChIKeyGGYBWCZBWQYCPZ-UHFFFAOYSA-N
XLogP0.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-methyl-4-(3-methylphenyl)sulfonylpiperazin-2-yl]ethanol
CID 131900399
(3S,4S)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3,4-diol
CID 131932032
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458322
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799630
3-bromo-1-(2,4-dimethylphenyl)sulfonylpiperidine
CID 80675434
1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 110708837
1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79867451
4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine
CID 51294935
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124557704
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 62358135

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol (CID 131944827) is 2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol is Cc1ccc(S(=O)(=O)N2CCN(C)C(CCO)C2)c(C)c1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol?
The InChIKey is GGYBWCZBWQYCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-4-5-15(13(2)10-12)21(19,20)17-8-7-16(3)14(11-17)6-9-18/h4-5,10,14,18H,6-9,11H2,1-3H3.
What are the key properties of 2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol?
2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol has a molecular weight of 312.44 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)sulfonyl-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 131944827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).