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

C11H15NO3S — CID 959536

IUPAC3-(4-methylphenyl)sulfonyl-1,3-oxazinane
SMILESCc1ccc(S(=O)(=O)N2CCCOC2)cc1
InChIInChI=1S/C11H15NO3S/c1-10-3-5-11(6-4-10)16(13,14)12-7-2-8-15-9-12/h3-6H,2,7-9H2,1H3
InChIKeyBYTYRIZQSLBUCN-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.36
Rot. Bonds2

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

3-(4-methylphenyl)sulfonyl-1,3-oxazinane (PubChem CID 959536) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-1,3-oxazinane.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-1,3-oxazinane
PubChem CID959536
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-(4-methylphenyl)sulfonyl-1,3-oxazinane
SMILESCc1ccc(S(=O)(=O)N2CCCOC2)cc1
InChIInChI=1S/C11H15NO3S/c1-10-3-5-11(6-4-10)16(13,14)12-7-2-8-15-9-12/h3-6H,2,7-9H2,1H3
InChIKeyBYTYRIZQSLBUCN-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-1,3-oxazinane?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-1,3-oxazinane (CID 959536) is 3-(4-methylphenyl)sulfonyl-1,3-oxazinane.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-1,3-oxazinane?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-1,3-oxazinane is Cc1ccc(S(=O)(=O)N2CCCOC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-1,3-oxazinane?
The InChIKey is BYTYRIZQSLBUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-10-3-5-11(6-4-10)16(13,14)12-7-2-8-15-9-12/h3-6H,2,7-9H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-1,3-oxazinane?
3-(4-methylphenyl)sulfonyl-1,3-oxazinane has a molecular weight of 241.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-1,3-oxazinane is sourced from PubChem (CID 959536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).