1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine

C18H28N2O3S — CID 113072653

IUPAC1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-2-11-19-12-14-20(15-13-19)24(21,22)18-9-7-17(8-10-18)23-16-5-3-4-6-16/h7-10,16H,2-6,11-15H2,1H3
InChIKeyUPYQBAJEROUJHV-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.72
Rot. Bonds6

About 1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine

1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine (PubChem CID 113072653) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine
PubChem CID113072653
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-2-11-19-12-14-20(15-13-19)24(21,22)18-9-7-17(8-10-18)23-16-5-3-4-6-16/h7-10,16H,2-6,11-15H2,1H3
InChIKeyUPYQBAJEROUJHV-UHFFFAOYSA-N
XLogP2.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075062
1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796362
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740083
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane
CID 110739721
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 110294898
1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one
CID 110727956
1-(4-methoxyphenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine;oxalic acid
CID 90483664
[4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone
CID 55605182
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-[(4-cyclopentyloxyphenyl)methyl]-4-methylsulfonyl-1,4-diazepane
CID 91773142
1-(cyclopropylmethyl)-4-(4-ethoxyphenyl)sulfonyl-1,4-diazepane
CID 95751370
3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739906

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine (CID 113072653) is 1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine is CCCN1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine?
The InChIKey is UPYQBAJEROUJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-2-11-19-12-14-20(15-13-19)24(21,22)18-9-7-17(8-10-18)23-16-5-3-4-6-16/h7-10,16H,2-6,11-15H2,1H3.
What are the key properties of 1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine?
1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine has a molecular weight of 352.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine is sourced from PubChem (CID 113072653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).