(7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine

C11H16N2O2S — CID 84629754

IUPAC(7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
SMILESCCc1ccc2c(c1)S(=O)(=O)CC(CN)N2
InChIInChI=1S/C11H16N2O2S/c1-2-8-3-4-10-11(5-8)16(14,15)7-9(6-12)13-10/h3-5,9,13H,2,6-7,12H2,1H3
InChIKeyMVWDXPFJQOOLNV-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.78
Rot. Bonds2

About (7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine

(7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine (PubChem CID 84629754) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine.

Molecular Properties

Compound Name(7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
PubChem CID84629754
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
SMILESCCc1ccc2c(c1)S(=O)(=O)CC(CN)N2
InChIInChI=1S/C11H16N2O2S/c1-2-8-3-4-10-11(5-8)16(14,15)7-9(6-12)13-10/h3-5,9,13H,2,6-7,12H2,1H3
InChIKeyMVWDXPFJQOOLNV-UHFFFAOYSA-N
XLogP0.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine?
The IUPAC name of (7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine (CID 84629754) is (7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine.
What is the SMILES notation for (7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine?
The canonical SMILES for (7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine is CCc1ccc2c(c1)S(=O)(=O)CC(CN)N2.
What is the InChIKey of (7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine?
The InChIKey is MVWDXPFJQOOLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-8-3-4-10-11(5-8)16(14,15)7-9(6-12)13-10/h3-5,9,13H,2,6-7,12H2,1H3.
What are the key properties of (7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine?
(7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine has a molecular weight of 240.33 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine is sourced from PubChem (CID 84629754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).