6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine

C15H15NOS — CID 82355438

IUPAC6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCSc1ccc2c(c1)NCC(c1ccccc1)O2
InChIInChI=1S/C15H15NOS/c1-18-12-7-8-14-13(9-12)16-10-15(17-14)11-5-3-2-4-6-11/h2-9,15-16H,10H2,1H3
InChIKeyWOHNTFKXGNICBF-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.95
Rot. Bonds2

About 6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine

6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82355438) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82355438
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCSc1ccc2c(c1)NCC(c1ccccc1)O2
InChIInChI=1S/C15H15NOS/c1-18-12-7-8-14-13(9-12)16-10-15(17-14)11-5-3-2-4-6-11/h2-9,15-16H,10H2,1H3
InChIKeyWOHNTFKXGNICBF-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine (CID 82355438) is 6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine is CSc1ccc2c(c1)NCC(c1ccccc1)O2.
What is the InChIKey of 6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is WOHNTFKXGNICBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-18-12-7-8-14-13(9-12)16-10-15(17-14)11-5-3-2-4-6-11/h2-9,15-16H,10H2,1H3.
What are the key properties of 6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine?
6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 257.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82355438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).