1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine

C15H24N2O2S — CID 119961769

IUPAC1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine
SMILESCC(C)CCc1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-13(2)3-4-14-5-7-15(8-6-14)20(18,19)17-11-9-16-10-12-17/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyBYXMCEDVCGGNLH-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.87
Rot. Bonds5

About 1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine

1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine (PubChem CID 119961769) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine
PubChem CID119961769
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine
SMILESCC(C)CCc1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-13(2)3-4-14-5-7-15(8-6-14)20(18,19)17-11-9-16-10-12-17/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyBYXMCEDVCGGNLH-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine
CID 119980169
N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978398
1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
CID 43362237
3-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]propanoic acid
CID 61405423
2-methyl-1-(4-piperazin-1-ylsulfonylphenyl)propan-1-one
CID 82164843
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
1-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-N,N-dimethylmethanamine;hydrochloride
CID 120999364
sodium 4-(3-methylbutyl)benzenesulfonate
CID 23686331
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
1-(4-fluorophenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151796
3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119576915

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine (CID 119961769) is 1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine is CC(C)CCc1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine?
The InChIKey is BYXMCEDVCGGNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13(2)3-4-14-5-7-15(8-6-14)20(18,19)17-11-9-16-10-12-17/h5-8,13,16H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine?
1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine has a molecular weight of 296.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 119961769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).