4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide

C10H13NO2S — CID 102173721

IUPAC4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCc1cccc2c1S(=O)(=O)NCC2C
InChIInChI=1S/C10H13NO2S/c1-7-4-3-5-9-8(2)6-11-14(12,13)10(7)9/h3-5,8,11H,6H2,1-2H3
InChIKeyAEXJCGSRHUNKMY-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.39
Rot. Bonds

About 4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide

4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide (PubChem CID 102173721) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
PubChem CID102173721
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCc1cccc2c1S(=O)(=O)NCC2C
InChIInChI=1S/C10H13NO2S/c1-7-4-3-5-9-8(2)6-11-14(12,13)10(7)9/h3-5,8,11H,6H2,1-2H3
InChIKeyAEXJCGSRHUNKMY-UHFFFAOYSA-N
XLogP1.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The IUPAC name of 4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide (CID 102173721) is 4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide.
What is the SMILES notation for 4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The canonical SMILES for 4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide is Cc1cccc2c1S(=O)(=O)NCC2C.
What is the InChIKey of 4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The InChIKey is AEXJCGSRHUNKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-4-3-5-9-8(2)6-11-14(12,13)10(7)9/h3-5,8,11H,6H2,1-2H3.
What are the key properties of 4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide has a molecular weight of 211.29 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide is sourced from PubChem (CID 102173721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).