3-naphthalen-2-ylsulfonyl-1,3-oxazinane

C14H15NO3S — CID 652369

IUPAC3-naphthalen-2-ylsulfonyl-1,3-oxazinane
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCCOC1
InChIInChI=1S/C14H15NO3S/c16-19(17,15-8-3-9-18-11-15)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10H,3,8-9,11H2
InChIKeyJDOGXCVUNMACRF-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.21
Rot. Bonds2

About 3-naphthalen-2-ylsulfonyl-1,3-oxazinane

3-naphthalen-2-ylsulfonyl-1,3-oxazinane (PubChem CID 652369) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-naphthalen-2-ylsulfonyl-1,3-oxazinane.

Molecular Properties

Compound Name3-naphthalen-2-ylsulfonyl-1,3-oxazinane
PubChem CID652369
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name3-naphthalen-2-ylsulfonyl-1,3-oxazinane
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCCOC1
InChIInChI=1S/C14H15NO3S/c16-19(17,15-8-3-9-18-11-15)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10H,3,8-9,11H2
InChIKeyJDOGXCVUNMACRF-UHFFFAOYSA-N
XLogP2.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylsulfonyl-1,3-oxazinane?
The IUPAC name of 3-naphthalen-2-ylsulfonyl-1,3-oxazinane (CID 652369) is 3-naphthalen-2-ylsulfonyl-1,3-oxazinane.
What is the SMILES notation for 3-naphthalen-2-ylsulfonyl-1,3-oxazinane?
The canonical SMILES for 3-naphthalen-2-ylsulfonyl-1,3-oxazinane is O=S(=O)(c1ccc2ccccc2c1)N1CCCOC1.
What is the InChIKey of 3-naphthalen-2-ylsulfonyl-1,3-oxazinane?
The InChIKey is JDOGXCVUNMACRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-19(17,15-8-3-9-18-11-15)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10H,3,8-9,11H2.
What are the key properties of 3-naphthalen-2-ylsulfonyl-1,3-oxazinane?
3-naphthalen-2-ylsulfonyl-1,3-oxazinane has a molecular weight of 277.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylsulfonyl-1,3-oxazinane is sourced from PubChem (CID 652369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).