1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine

C17H26N2O4S2 — CID 110363746

IUPAC1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CCCC3)CC2)cc1C
InChIInChI=1S/C17H26N2O4S2/c1-14-7-8-17(13-15(14)2)25(22,23)19-11-9-18(10-12-19)24(20,21)16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3
InChIKeyGFPHEGKCKXTJQK-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.88
Rot. Bonds4

About 1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine

1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine (PubChem CID 110363746) has the molecular formula C17H26N2O4S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
PubChem CID110363746
Molecular FormulaC17H26N2O4S2
Molecular Weight386.54 g/mol
Exact Mass386.13
IUPAC Name1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CCCC3)CC2)cc1C
InChIInChI=1S/C17H26N2O4S2/c1-14-7-8-17(13-15(14)2)25(22,23)19-11-9-18(10-12-19)24(20,21)16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3
InChIKeyGFPHEGKCKXTJQK-UHFFFAOYSA-N
XLogP1.88
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentylsulfonyl-4-(3,4-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

1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
1-(3,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799629
1-(3,4-dimethylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684793
1-tert-butyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074853
1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
CID 46287318
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 56513505

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine (CID 110363746) is 1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CCCC3)CC2)cc1C.
What is the InChIKey of 1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The InChIKey is GFPHEGKCKXTJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S2/c1-14-7-8-17(13-15(14)2)25(22,23)19-11-9-18(10-12-19)24(20,21)16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3.
What are the key properties of 1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine has a molecular weight of 386.54 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110363746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).