3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane

C15H21NO4S — CID 110739721

IUPAC3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane
SMILESO=S(=O)(c1ccc(OC2CCCC2)cc1)N1CCCOC1
InChIInChI=1S/C15H21NO4S/c17-21(18,16-10-3-11-19-12-16)15-8-6-14(7-9-15)20-13-4-1-2-5-13/h6-9,13H,1-5,10-12H2
InChIKeyQZQFOFQPBUUIIL-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.38
Rot. Bonds4

About 3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane

3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane (PubChem CID 110739721) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane.

Molecular Properties

Compound Name3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane
PubChem CID110739721
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane
SMILESO=S(=O)(c1ccc(OC2CCCC2)cc1)N1CCCOC1
InChIInChI=1S/C15H21NO4S/c17-21(18,16-10-3-11-19-12-16)15-8-6-14(7-9-15)20-13-4-1-2-5-13/h6-9,13H,1-5,10-12H2
InChIKeyQZQFOFQPBUUIIL-UHFFFAOYSA-N
XLogP2.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740083
3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane
CID 110739906
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 110294898
4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine
CID 110292279
1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796362
1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine
CID 113072653
1-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-5-one
CID 110727956
1-(4-cyclopentyloxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075062
4-cyclopentyloxybenzenesulfonamide
CID 43164525
3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740101
[4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone
CID 55605182
4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 110727700

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane?
The IUPAC name of 3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane (CID 110739721) is 3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane.
What is the SMILES notation for 3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane?
The canonical SMILES for 3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane is O=S(=O)(c1ccc(OC2CCCC2)cc1)N1CCCOC1.
What is the InChIKey of 3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane?
The InChIKey is QZQFOFQPBUUIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c17-21(18,16-10-3-11-19-12-16)15-8-6-14(7-9-15)20-13-4-1-2-5-13/h6-9,13H,1-5,10-12H2.
What are the key properties of 3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane?
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane has a molecular weight of 311.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane is sourced from PubChem (CID 110739721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).