(4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine

C11H16N2S2 — CID 84629862

IUPAC(4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine
SMILESCSc1ccc2c(c1)SCC(CN)N2C
InChIInChI=1S/C11H16N2S2/c1-13-8(6-12)7-15-11-5-9(14-2)3-4-10(11)13/h3-5,8H,6-7,12H2,1-2H3
InChIKeyJUTKVOKLJVYART-UHFFFAOYSA-N
MW240.40 g/mol
LogP2.28
Rot. Bonds2

About (4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine

(4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine (PubChem CID 84629862) has the molecular formula C11H16N2S2 and a molecular weight of 240.40 g/mol. Its IUPAC name is (4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine
PubChem CID84629862
Molecular FormulaC11H16N2S2
Molecular Weight240.40 g/mol
Exact Mass240.08
IUPAC Name(4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine
SMILESCSc1ccc2c(c1)SCC(CN)N2C
InChIInChI=1S/C11H16N2S2/c1-13-8(6-12)7-15-11-5-9(14-2)3-4-10(11)13/h3-5,8H,6-7,12H2,1-2H3
InChIKeyJUTKVOKLJVYART-UHFFFAOYSA-N
XLogP2.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine?
The IUPAC name of (4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine (CID 84629862) is (4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine.
What is the SMILES notation for (4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine?
The canonical SMILES for (4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine is CSc1ccc2c(c1)SCC(CN)N2C.
What is the InChIKey of (4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine?
The InChIKey is JUTKVOKLJVYART-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S2/c1-13-8(6-12)7-15-11-5-9(14-2)3-4-10(11)13/h3-5,8H,6-7,12H2,1-2H3.
What are the key properties of (4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine?
(4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine has a molecular weight of 240.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-3-yl)methanamine is sourced from PubChem (CID 84629862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).