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

C17H26N2O2S — CID 110708923

IUPAC1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1C
InChIInChI=1S/C17H26N2O2S/c1-14-7-8-17(13-15(14)2)22(20,21)19-11-9-18(10-12-19)16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3
InChIKeyFCVCVTPFAHNORK-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.55
Rot. Bonds3

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

1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine (PubChem CID 110708923) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
PubChem CID110708923
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1C
InChIInChI=1S/C17H26N2O2S/c1-14-7-8-17(13-15(14)2)22(20,21)19-11-9-18(10-12-19)16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3
InChIKeyFCVCVTPFAHNORK-UHFFFAOYSA-N
XLogP2.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
CID 113073090
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
1-(azetidin-3-yl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 66203901
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 23738911
1-cyclohex-2-en-1-yl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 56513505
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-fluoro-4-methylphenyl)sulfonyl-4-(oxan-4-yl)piperazine
CID 126792044

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine (CID 110708923) is 1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1C.
What is the InChIKey of 1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
The InChIKey is FCVCVTPFAHNORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-14-7-8-17(13-15(14)2)22(20,21)19-11-9-18(10-12-19)16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine?
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine has a molecular weight of 322.47 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110708923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).