1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine

C19H30N2O2S — CID 1460019

IUPAC1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C19H30N2O2S/c1-19(2,3)16-8-10-18(11-9-16)24(22,23)21-14-12-20(13-15-21)17-6-4-5-7-17/h8-11,17H,4-7,12-15H2,1-3H3
InChIKeyZUNJJPLWWJHSEQ-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.23
Rot. Bonds3

About 1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine

1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine (PubChem CID 1460019) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine
PubChem CID1460019
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C19H30N2O2S/c1-19(2,3)16-8-10-18(11-9-16)24(22,23)21-14-12-20(13-15-21)17-6-4-5-7-17/h8-11,17H,4-7,12-15H2,1-3H3
InChIKeyZUNJJPLWWJHSEQ-UHFFFAOYSA-N
XLogP3.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine (CID 1460019) is 1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine is CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine?
The InChIKey is ZUNJJPLWWJHSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-19(2,3)16-8-10-18(11-9-16)24(22,23)21-14-12-20(13-15-21)17-6-4-5-7-17/h8-11,17H,4-7,12-15H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine?
1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine has a molecular weight of 350.53 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-4-cyclopentylpiperazine is sourced from PubChem (CID 1460019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).