(3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine

C11H16N2S — CID 84621174

IUPAC(3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
SMILESCc1ccc2c(c1)NC(C)C(CN)S2
InChIInChI=1S/C11H16N2S/c1-7-3-4-10-9(5-7)13-8(2)11(6-12)14-10/h3-5,8,11,13H,6,12H2,1-2H3
InChIKeyBJGPFWAQMDEHPQ-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.23
Rot. Bonds1

About (3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine

(3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine (PubChem CID 84621174) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is (3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine.

Molecular Properties

Compound Name(3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
PubChem CID84621174
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name(3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
SMILESCc1ccc2c(c1)NC(C)C(CN)S2
InChIInChI=1S/C11H16N2S/c1-7-3-4-10-9(5-7)13-8(2)11(6-12)14-10/h3-5,8,11,13H,6,12H2,1-2H3
InChIKeyBJGPFWAQMDEHPQ-UHFFFAOYSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine?
The IUPAC name of (3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine (CID 84621174) is (3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine.
What is the SMILES notation for (3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine?
The canonical SMILES for (3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine is Cc1ccc2c(c1)NC(C)C(CN)S2.
What is the InChIKey of (3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine?
The InChIKey is BJGPFWAQMDEHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-7-3-4-10-9(5-7)13-8(2)11(6-12)14-10/h3-5,8,11,13H,6,12H2,1-2H3.
What are the key properties of (3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine?
(3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine has a molecular weight of 208.33 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine is sourced from PubChem (CID 84621174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).