3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine

C9H12N2S — CID 115096003

IUPAC3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine
SMILESCC1CSc2c(N)cccc2N1
InChIInChI=1S/C9H12N2S/c1-6-5-12-9-7(10)3-2-4-8(9)11-6/h2-4,6,11H,5,10H2,1H3
InChIKeyNTQAMVAHHNVQNA-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.17
Rot. Bonds

About 3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine

3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine (PubChem CID 115096003) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine
PubChem CID115096003
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine
SMILESCC1CSc2c(N)cccc2N1
InChIInChI=1S/C9H12N2S/c1-6-5-12-9-7(10)3-2-4-8(9)11-6/h2-4,6,11H,5,10H2,1H3
InChIKeyNTQAMVAHHNVQNA-UHFFFAOYSA-N
XLogP2.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2,3-dihydro-1H-indol-4-amine
CID 130045562
3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84618482
(3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine
CID 115095816
3-methyl-7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine
CID 84620973
9-fluoro-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
CID 115098272
5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619205
9-hydroxy-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 115098262
3-methyl-3,4-dihydro-2H-1,4-benzothiazepine-5-thione
CID 130009663
1-(5-amino-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
CID 3760504
(2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole
CID 129375705
(2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline
CID 124706639
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine?
The IUPAC name of 3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine (CID 115096003) is 3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine is CC1CSc2c(N)cccc2N1.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine?
The InChIKey is NTQAMVAHHNVQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-6-5-12-9-7(10)3-2-4-8(9)11-6/h2-4,6,11H,5,10H2,1H3.
What are the key properties of 3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine?
3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine has a molecular weight of 180.28 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine is sourced from PubChem (CID 115096003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).