1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine

C13H20N2S2 — CID 84640992

IUPAC1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine
SMILESCNCC1Sc2cc(SC)ccc2N(C)C1C
InChIInChI=1S/C13H20N2S2/c1-9-13(8-14-2)17-12-7-10(16-4)5-6-11(12)15(9)3/h5-7,9,13-14H,8H2,1-4H3
InChIKeyYMFVTLSBCNIWSS-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.93
Rot. Bonds3

About 1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine

1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine (PubChem CID 84640992) has the molecular formula C13H20N2S2 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine
PubChem CID84640992
Molecular FormulaC13H20N2S2
Molecular Weight268.45 g/mol
Exact Mass268.11
IUPAC Name1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine
SMILESCNCC1Sc2cc(SC)ccc2N(C)C1C
InChIInChI=1S/C13H20N2S2/c1-9-13(8-14-2)17-12-7-10(16-4)5-6-11(12)15(9)3/h5-7,9,13-14H,8H2,1-4H3
InChIKeyYMFVTLSBCNIWSS-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine (CID 84640992) is 1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine is CNCC1Sc2cc(SC)ccc2N(C)C1C.
What is the InChIKey of 1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine?
The InChIKey is YMFVTLSBCNIWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S2/c1-9-13(8-14-2)17-12-7-10(16-4)5-6-11(12)15(9)3/h5-7,9,13-14H,8H2,1-4H3.
What are the key properties of 1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine?
1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine has a molecular weight of 268.45 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84640992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).