2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol

C15H24N2O3S — CID 799299

IUPAC2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(CCO)CC2)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-12-10-13(2)15(14(3)11-12)21(19,20)17-6-4-16(5-7-17)8-9-18/h10-11,18H,4-9H2,1-3H3
InChIKeyWQDXSPXPVSPLCB-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.91
Rot. Bonds4

About 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol

2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 799299) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID799299
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(CCO)CC2)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-12-10-13(2)15(14(3)11-12)21(19,20)17-6-4-16(5-7-17)8-9-18/h10-11,18H,4-9H2,1-3H3
InChIKeyWQDXSPXPVSPLCB-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 991615
1-Ethyl-4-(mesitylsulfonyl)piperazine
CID 843242
2,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 16242497
1-(Mesitylsulfonyl)-4-methylpiperazine
CID 567240
1-[(2,4-Dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 775782
N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 81565
Ethyl 4-(2,4,6-trimethylbenzenesulfonyl)piperazine-1-carboxylate
CID 645243
2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2104277
4-[(Dimethylamino)sulfonyl]-1-[(2,4-dimethylphenyl)sulfonyl]piperazine
CID 2197124
4-((4-(Mesitylsulfonyl)piperazin-1-yl)sulfonyl)morpholine
CID 6489213
2-(4-Tosylpiperazin-1-yl)ethanol
CID 796342
N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 2836113

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol (CID 799299) is 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol is Cc1cc(C)c(S(=O)(=O)N2CCN(CCO)CC2)c(C)c1.
What is the InChIKey of 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is WQDXSPXPVSPLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-10-13(2)15(14(3)11-12)21(19,20)17-6-4-16(5-7-17)8-9-18/h10-11,18H,4-9H2,1-3H3.
What are the key properties of 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 312.44 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 799299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).