6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide

C9H11NO3S — CID 155295067

IUPAC6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide
SMILESCOc1ccc2c(c1)CNS(=O)(=O)C2
InChIInChI=1S/C9H11NO3S/c1-13-9-3-2-7-6-14(11,12)10-5-8(7)4-9/h2-4,10H,5-6H2,1H3
InChIKeySZKWZQUQWKOAMQ-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.63
Rot. Bonds1

About 6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide

6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide (PubChem CID 155295067) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide.

Molecular Properties

Compound Name6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide
PubChem CID155295067
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide
SMILESCOc1ccc2c(c1)CNS(=O)(=O)C2
InChIInChI=1S/C9H11NO3S/c1-13-9-3-2-7-6-14(11,12)10-5-8(7)4-9/h2-4,10H,5-6H2,1H3
InChIKeySZKWZQUQWKOAMQ-UHFFFAOYSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide?
The IUPAC name of 6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide (CID 155295067) is 6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide.
What is the SMILES notation for 6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide?
The canonical SMILES for 6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide is COc1ccc2c(c1)CNS(=O)(=O)C2.
What is the InChIKey of 6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide?
The InChIKey is SZKWZQUQWKOAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-13-9-3-2-7-6-14(11,12)10-5-8(7)4-9/h2-4,10H,5-6H2,1H3.
What are the key properties of 6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide?
6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide has a molecular weight of 213.26 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4-dihydro-1H-2λ6,3-benzothiazine 2,2-dioxide is sourced from PubChem (CID 155295067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).