5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide

C11H14ClNO2S — CID 84637987

IUPAC5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
SMILESCc1cc(Cl)c2c(c1)S(=O)(=O)C(C)(C)CN2
InChIInChI=1S/C11H14ClNO2S/c1-7-4-8(12)10-9(5-7)16(14,15)11(2,3)6-13-10/h4-5,13H,6H2,1-3H3
InChIKeyCZAJZEUZLTZYSU-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.63
Rot. Bonds

About 5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide

5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 84637987) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID84637987
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
SMILESCc1cc(Cl)c2c(c1)S(=O)(=O)C(C)(C)CN2
InChIInChI=1S/C11H14ClNO2S/c1-7-4-8(12)10-9(5-7)16(14,15)11(2,3)6-13-10/h4-5,13H,6H2,1-3H3
InChIKeyCZAJZEUZLTZYSU-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84632106
7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84630049
4-chloro-2,6-dimethyl-3H-1,2-benzothiazole 1,1-dioxide
CID 170342555
8-chloro-2,2,4,6-tetramethyl-1H-quinoline
CID 53419048
3,5,7-trimethyl-3-propan-2-yl-1,2-dihydroindole
CID 106701894
7-chloro-9-methyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 84634517
8-chloro-3-ethyl-4,6-dimethyl-2,3-dihydro-1H-quinoxaline
CID 84624825
1,8-dichloro-3,6-dimethyl-9H-carbazole
CID 156769034
1-(2-aminoethyl)-6-chloro-8-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84635071
7-chloro-5-methyl-3-(methylamino)-1,3-dihydroindol-2-one
CID 82234591
7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane
CID 170250864
3-chloro-2-fluoro-5-methylbenzaldehyde
CID 84654476

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide (CID 84637987) is 5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide is Cc1cc(Cl)c2c(c1)S(=O)(=O)C(C)(C)CN2.
What is the InChIKey of 5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is CZAJZEUZLTZYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-7-4-8(12)10-9(5-7)16(14,15)11(2,3)6-13-10/h4-5,13H,6H2,1-3H3.
What are the key properties of 5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide has a molecular weight of 259.76 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 84637987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).