1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine

C20H32N2O3S — CID 113075062

IUPAC1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
SMILESCC(C)CCN1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1
InChIInChI=1S/C20H32N2O3S/c1-17(2)11-12-21-13-15-22(16-14-21)26(23,24)20-9-7-19(8-10-20)25-18-5-3-4-6-18/h7-10,17-18H,3-6,11-16H2,1-2H3
InChIKeySVEYMBSRWKAUAA-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.36
Rot. Bonds7

About 1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine

1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine (PubChem CID 113075062) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
PubChem CID113075062
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Name1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
SMILESCC(C)CCN1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1
InChIInChI=1S/C20H32N2O3S/c1-17(2)11-12-21-13-15-22(16-14-21)26(23,24)20-9-7-19(8-10-20)25-18-5-3-4-6-18/h7-10,17-18H,3-6,11-16H2,1-2H3
InChIKeySVEYMBSRWKAUAA-UHFFFAOYSA-N
XLogP3.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine
CID 113072653
1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796362
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 110294898
1-(3-methylbutyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113075040
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740083
N,N-dimethyl-2-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]ethanamine
CID 113073649
1-(4-chloro-3-methylphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075058
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane
CID 110739721
3-[4-(3-methylbutyl)piperazin-1-yl]sulfonylaniline
CID 61141113
1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one
CID 110727956
4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 87024812

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine (CID 113075062) is 1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine is CC(C)CCN1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine?
The InChIKey is SVEYMBSRWKAUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-17(2)11-12-21-13-15-22(16-14-21)26(23,24)20-9-7-19(8-10-20)25-18-5-3-4-6-18/h7-10,17-18H,3-6,11-16H2,1-2H3.
What are the key properties of 1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine?
1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine has a molecular weight of 380.55 g/mol, XLogP of 3.36, 7 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-(3-methylbutyl)piperazine is sourced from PubChem (CID 113075062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).