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

C10H12ClNO2S — CID 84632106

IUPAC7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
SMILESCC1(C)CNc2ccc(Cl)cc2S1(=O)=O
InChIInChI=1S/C10H12ClNO2S/c1-10(2)6-12-8-4-3-7(11)5-9(8)15(10,13)14/h3-5,12H,6H2,1-2H3
InChIKeyZZKFBYUENQILGN-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.32
Rot. Bonds

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

7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 84632106) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID84632106
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
SMILESCC1(C)CNc2ccc(Cl)cc2S1(=O)=O
InChIInChI=1S/C10H12ClNO2S/c1-10(2)6-12-8-4-3-7(11)5-9(8)15(10,13)14/h3-5,12H,6H2,1-2H3
InChIKeyZZKFBYUENQILGN-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-2,2-dimethyl-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-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84630049
5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole
CID 106701880
5-chloro-2,2,7-trimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84637987
6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84637977
8-chloro-1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one
CID 105357096
7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one
CID 117015968
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115452175
2-[(7-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-ylidene)amino]propan-1-ol
CID 135845265
7-chloro-3-ethyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 23274161
7-chloro-3-methyl-1,1-dioxo-4H-1λ6,4-benzothiazine-2-carbonitrile
CID 10220680
7-chlorospiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-4-one
CID 115452160
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115434699

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide (CID 84632106) is 7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide is CC1(C)CNc2ccc(Cl)cc2S1(=O)=O.
What is the InChIKey of 7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is ZZKFBYUENQILGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-10(2)6-12-8-4-3-7(11)5-9(8)15(10,13)14/h3-5,12H,6H2,1-2H3.
What are the key properties of 7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide?
7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide has a molecular weight of 245.73 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 84632106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).