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

C9H10INO2S — CID 102173724

IUPAC6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCC1CNS(=O)(=O)c2ccc(I)cc21
InChIInChI=1S/C9H10INO2S/c1-6-5-11-14(12,13)9-3-2-7(10)4-8(6)9/h2-4,6,11H,5H2,1H3
InChIKeyFSXJEJKVBFRVTF-UHFFFAOYSA-N
MW323.16 g/mol
LogP1.69
Rot. Bonds

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

6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide (PubChem CID 102173724) has the molecular formula C9H10INO2S and a molecular weight of 323.16 g/mol. Its IUPAC name is 6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
PubChem CID102173724
Molecular FormulaC9H10INO2S
Molecular Weight323.16 g/mol
Exact Mass322.95
IUPAC Name6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCC1CNS(=O)(=O)c2ccc(I)cc21
InChIInChI=1S/C9H10INO2S/c1-6-5-11-14(12,13)9-3-2-7(10)4-8(6)9/h2-4,6,11H,5H2,1H3
InChIKeyFSXJEJKVBFRVTF-UHFFFAOYSA-N
XLogP1.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The IUPAC name of 6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide (CID 102173724) is 6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide.
What is the SMILES notation for 6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The canonical SMILES for 6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide is CC1CNS(=O)(=O)c2ccc(I)cc21.
What is the InChIKey of 6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The InChIKey is FSXJEJKVBFRVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2S/c1-6-5-11-14(12,13)9-3-2-7(10)4-8(6)9/h2-4,6,11H,5H2,1H3.
What are the key properties of 6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide has a molecular weight of 323.16 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide is sourced from PubChem (CID 102173724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).