2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol

C17H28N2O3S — CID 2495559

IUPAC2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C17H28N2O3S/c1-14-5-6-15(17(2,3)4)13-16(14)23(21,22)19-9-7-18(8-10-19)11-12-20/h5-6,13,20H,7-12H2,1-4H3
InChIKeyWHIXIDVZNKNYOF-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.59
Rot. Bonds4

About 2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol

2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 2495559) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID2495559
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C17H28N2O3S/c1-14-5-6-15(17(2,3)4)13-16(14)23(21,22)19-9-7-18(8-10-19)11-12-20/h5-6,13,20H,7-12H2,1-4H3
InChIKeyWHIXIDVZNKNYOF-UHFFFAOYSA-N
XLogP1.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-amino-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501290
2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84591436
2-[4-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 114625096
1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 4961988
1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol
CID 78924731
1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 95753287
1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 52526261
4-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]sulfonylbenzoic acid
CID 45314761
1-(5-tert-butyl-2-methylphenyl)sulfonyl-4-(1-methylpiperidin-3-yl)piperazine
CID 86959903
2-[4-(2-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63309886
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116
4-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxylic acid
CID 123521313

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol (CID 2495559) is 2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is WHIXIDVZNKNYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-14-5-6-15(17(2,3)4)13-16(14)23(21,22)19-9-7-18(8-10-19)11-12-20/h5-6,13,20H,7-12H2,1-4H3.
What are the key properties of 2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 340.49 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 2495559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).