3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide

C8H9NO2S — CID 12730654

IUPAC3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide
SMILESO=S1(=O)CCNc2ccccc21
InChIInChI=1S/C8H9NO2S/c10-12(11)6-5-9-7-3-1-2-4-8(7)12/h1-4,9H,5-6H2
InChIKeyWYUFHUYMJXPXAO-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.89
Rot. Bonds

About 3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide

3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide (PubChem CID 12730654) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide
PubChem CID12730654
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide
SMILESO=S1(=O)CCNc2ccccc21
InChIInChI=1S/C8H9NO2S/c10-12(11)6-5-9-7-3-1-2-4-8(7)12/h1-4,9H,5-6H2
InChIKeyWYUFHUYMJXPXAO-UHFFFAOYSA-N
XLogP0.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylsulphonyl)-10H-phenothiazine
CID 90134
N,N-Dimethylphenothiazine-2-sulfonamide
CID 70665
10-Ethyl-10H-phenothiazine 5,5-dioxide
CID 621197
2H-1,4-Benzothiazine-3(4H)-thione
CID 773981
3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 589052
Phenothiazine 5,5-dioxide
CID 71024
2H-1,2,4-Benzothiadiazine, 3,4-dihydro-, 1,1-dioxide
CID 120220
1-(4-(Methylsulfonyl)phenyl)piperazine
CID 735904
2,3-Dihydro-1,4-benzothiazine
CID 151064
Thiol-aryl sulfone, 13
CID 25138253
Thiol-aryl sulfone, 16
CID 25138254
4-(2-Benzenesulfonylphenyl)piperazine
CID 11849201

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide (CID 12730654) is 3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide is O=S1(=O)CCNc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide?
The InChIKey is WYUFHUYMJXPXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-12(11)6-5-9-7-3-1-2-4-8(7)12/h1-4,9H,5-6H2.
What are the key properties of 3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide?
3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide has a molecular weight of 183.23 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 12730654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).