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

C9H11NO3S — CID 151176942

IUPAC6-methoxy-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCOc1ccc2c(c1)CCNS2(=O)=O
InChIInChI=1S/C9H11NO3S/c1-13-8-2-3-9-7(6-8)4-5-10-14(9,11)12/h2-3,6,10H,4-5H2,1H3
InChIKeyNDLQYPZCORPFJH-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.53
Rot. Bonds1

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

6-methoxy-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide (PubChem CID 151176942) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 6-methoxy-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name6-methoxy-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
PubChem CID151176942
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name6-methoxy-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCOc1ccc2c(c1)CCNS2(=O)=O
InChIInChI=1S/C9H11NO3S/c1-13-8-2-3-9-7(6-8)4-5-10-14(9,11)12/h2-3,6,10H,4-5H2,1H3
InChIKeyNDLQYPZCORPFJH-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
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-2H-1λ6,2-benzothiazine 1,1-dioxide?
The IUPAC name of 6-methoxy-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide (CID 151176942) is 6-methoxy-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide.
What is the SMILES notation for 6-methoxy-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The canonical SMILES for 6-methoxy-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide is COc1ccc2c(c1)CCNS2(=O)=O.
What is the InChIKey of 6-methoxy-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The InChIKey is NDLQYPZCORPFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-13-8-2-3-9-7(6-8)4-5-10-14(9,11)12/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 6-methoxy-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
6-methoxy-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide has a molecular weight of 213.26 g/mol, XLogP of 0.53, 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-2H-1λ6,2-benzothiazine 1,1-dioxide is sourced from PubChem (CID 151176942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).