3-methyl-3,4-dihydro-2H-1,4-benzothiazine

C9H11NS — CID 10558984

IUPAC3-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CSc2ccccc2N1
InChIInChI=1S/C9H11NS/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2-5,7,10H,6H2,1H3
InChIKeyOFUZAVQYAIEYET-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.59
Rot. Bonds

About 3-methyl-3,4-dihydro-2H-1,4-benzothiazine

3-methyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 10558984) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID10558984
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name3-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CSc2ccccc2N1
InChIInChI=1S/C9H11NS/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2-5,7,10H,6H2,1H3
InChIKeyOFUZAVQYAIEYET-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenothiazine
CID 7108
Desmonomethylpromazine
CID 28315
10H-Phenothiazine, 2-(methylthio)-
CID 82096
4H-1,4-Benzothiazin-3-one
CID 21396
10-Methylphenothiazine
CID 71015
2H-1,4-Benzothiazine-3(4H)-thione
CID 773981
N-Ethylphenothiazine
CID 219178
N,alpha-Dimethyl-10H-phenothiazine-10-ethanamine
CID 169959
10-Methyl-3-phenothiazinamine
CID 717880
2,2-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-6-amine
CID 7084759
3-Fluoro-10H-phenothiazine
CID 242838
1-(2-(Methylthio)phenyl)piperazine
CID 2736895

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 3-methyl-3,4-dihydro-2H-1,4-benzothiazine (CID 10558984) is 3-methyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-1,4-benzothiazine is CC1CSc2ccccc2N1.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is OFUZAVQYAIEYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2-5,7,10H,6H2,1H3.
What are the key properties of 3-methyl-3,4-dihydro-2H-1,4-benzothiazine?
3-methyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 165.26 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 10558984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).