10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine

C15H17NOS — CID 145064410

IUPAC10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine
SMILESCC1CCC2=C(C1)SC1c3ccccc3OCN21
InChIInChI=1S/C15H17NOS/c1-10-6-7-12-14(8-10)18-15-11-4-2-3-5-13(11)17-9-16(12)15/h2-5,10,15H,6-9H2,1H3
InChIKeyJCRURGJNEUXOPK-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.12
Rot. Bonds

About 10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine

10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine (PubChem CID 145064410) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine.

Molecular Properties

Compound Name10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine
PubChem CID145064410
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine
SMILESCC1CCC2=C(C1)SC1c3ccccc3OCN21
InChIInChI=1S/C15H17NOS/c1-10-6-7-12-14(8-10)18-15-11-4-2-3-5-13(11)17-9-16(12)15/h2-5,10,15H,6-9H2,1H3
InChIKeyJCRURGJNEUXOPK-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine?
The IUPAC name of 10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine (CID 145064410) is 10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine.
What is the SMILES notation for 10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine?
The canonical SMILES for 10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine is CC1CCC2=C(C1)SC1c3ccccc3OCN21.
What is the InChIKey of 10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine?
The InChIKey is JCRURGJNEUXOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10-6-7-12-14(8-10)18-15-11-4-2-3-5-13(11)17-9-16(12)15/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine?
10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine has a molecular weight of 259.37 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-6,8,9,10,11,12a-hexahydro-[1,3]benzothiazolo[3,2-c][1,3]benzoxazine is sourced from PubChem (CID 145064410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).