8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide

C15H21NO3S — CID 66228546

IUPAC8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide
SMILESCOc1ccc2c(c1)CCC1C2NC(C)(C)CS1(=O)=O
InChIInChI=1S/C15H21NO3S/c1-15(2)9-20(17,18)13-7-4-10-8-11(19-3)5-6-12(10)14(13)16-15/h5-6,8,13-14,16H,4,7,9H2,1-3H3
InChIKeyKEKNOJQSXHNBTI-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.85
Rot. Bonds1

About 8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide

8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide (PubChem CID 66228546) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide.

Molecular Properties

Compound Name8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide
PubChem CID66228546
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide
SMILESCOc1ccc2c(c1)CCC1C2NC(C)(C)CS1(=O)=O
InChIInChI=1S/C15H21NO3S/c1-15(2)9-20(17,18)13-7-4-10-8-11(19-3)5-6-12(10)14(13)16-15/h5-6,8,13-14,16H,4,7,9H2,1-3H3
InChIKeyKEKNOJQSXHNBTI-UHFFFAOYSA-N
XLogP1.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide?
The IUPAC name of 8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide (CID 66228546) is 8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide.
What is the SMILES notation for 8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide?
The canonical SMILES for 8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide is COc1ccc2c(c1)CCC1C2NC(C)(C)CS1(=O)=O.
What is the InChIKey of 8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide?
The InChIKey is KEKNOJQSXHNBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-15(2)9-20(17,18)13-7-4-10-8-11(19-3)5-6-12(10)14(13)16-15/h5-6,8,13-14,16H,4,7,9H2,1-3H3.
What are the key properties of 8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide?
8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide has a molecular weight of 295.40 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,2-dimethyl-1,3,4a,5,6,10b-hexahydrobenzo[f][1,4]benzothiazine 4,4-dioxide is sourced from PubChem (CID 66228546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).