3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane

C16H23NO4S — CID 110739906

IUPAC3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane
SMILESCC1OCCCN1S(=O)(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H23NO4S/c1-13-17(11-4-12-20-13)22(18,19)16-9-7-15(8-10-16)21-14-5-2-3-6-14/h7-10,13-14H,2-6,11-12H2,1H3
InChIKeyGEVZUOLKSIYRFK-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.77
Rot. Bonds4

About 3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane

3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane (PubChem CID 110739906) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane.

Molecular Properties

Compound Name3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane
PubChem CID110739906
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane
SMILESCC1OCCCN1S(=O)(=O)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H23NO4S/c1-13-17(11-4-12-20-13)22(18,19)16-9-7-15(8-10-16)21-14-5-2-3-6-14/h7-10,13-14H,2-6,11-12H2,1H3
InChIKeyGEVZUOLKSIYRFK-UHFFFAOYSA-N
XLogP2.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine
CID 110292279
2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane
CID 110739862
4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 110727700
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazinane
CID 110739721
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740083
1-[4-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 110739907
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223
6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110739902
1-(4-cyclopentyloxyphenyl)sulfonyl-4-propylpiperazine
CID 113072653
3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740284
4-cyclopentyloxybenzenesulfonamide
CID 43164525
1-[4-(4-cyclopentyloxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 110796362

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane?
The IUPAC name of 3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane (CID 110739906) is 3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane.
What is the SMILES notation for 3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane?
The canonical SMILES for 3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane is CC1OCCCN1S(=O)(=O)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane?
The InChIKey is GEVZUOLKSIYRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-13-17(11-4-12-20-13)22(18,19)16-9-7-15(8-10-16)21-14-5-2-3-6-14/h7-10,13-14H,2-6,11-12H2,1H3.
What are the key properties of 3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane?
3-(4-cyclopentyloxyphenyl)sulfonyl-2-methyl-1,3-oxazinane has a molecular weight of 325.43 g/mol, XLogP of 2.77, 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-2-methyl-1,3-oxazinane is sourced from PubChem (CID 110739906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).