3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane

C12H17NO5S — CID 110739698

IUPAC3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCOC2)c1
InChIInChI=1S/C12H17NO5S/c1-16-10-4-5-11(17-2)12(8-10)19(14,15)13-6-3-7-18-9-13/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyMCEYKQPFLNPOMQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.07
Rot. Bonds4

About 3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane

3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane (PubChem CID 110739698) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane
PubChem CID110739698
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCOC2)c1
InChIInChI=1S/C12H17NO5S/c1-16-10-4-5-11(17-2)12(8-10)19(14,15)13-6-3-7-18-9-13/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyMCEYKQPFLNPOMQ-UHFFFAOYSA-N
XLogP1.07
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
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1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
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(4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid
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1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
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4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane?
The IUPAC name of 3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane (CID 110739698) is 3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane is COc1ccc(OC)c(S(=O)(=O)N2CCCOC2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane?
The InChIKey is MCEYKQPFLNPOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-16-10-4-5-11(17-2)12(8-10)19(14,15)13-6-3-7-18-9-13/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane?
3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane has a molecular weight of 287.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane is sourced from PubChem (CID 110739698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).