1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine

C16H26N2O2S — CID 52526261

IUPAC1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
SMILESCCCCN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C16H26N2O2S/c1-4-5-8-17-9-11-18(12-10-17)21(19,20)16-13-14(2)6-7-15(16)3/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyWBUBGZMZFYIBIN-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.41
Rot. Bonds5

About 1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine

1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine (PubChem CID 52526261) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
PubChem CID52526261
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
SMILESCCCCN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C16H26N2O2S/c1-4-5-8-17-9-11-18(12-10-17)21(19,20)16-13-14(2)6-7-15(16)3/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyWBUBGZMZFYIBIN-UHFFFAOYSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8694159
1-butyl-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 113072830
1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 95753287
1-(4-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684732
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817309
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 36849344
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744706
4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 6465159
4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carbothioamide
CID 8744468
1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9037096
1-(2,5-dimethylphenyl)sulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-diazepane;hydrochloride
CID 71790611

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine (CID 52526261) is 1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine is CCCCN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1.
What is the InChIKey of 1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The InChIKey is WBUBGZMZFYIBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-5-8-17-9-11-18(12-10-17)21(19,20)16-13-14(2)6-7-15(16)3/h6-7,13H,4-5,8-12H2,1-3H3.
What are the key properties of 1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine?
1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine has a molecular weight of 310.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 52526261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).