2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine

C12H18N2O2S — CID 84635365

IUPAC2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine
SMILESCc1ccc2c(c1)NC(C)C(CCN)S2(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-8-3-4-12-10(7-8)14-9(2)11(5-6-13)17(12,15)16/h3-4,7,9,11,14H,5-6,13H2,1-2H3
InChIKeyYKFRHDOSBLQBER-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.30
Rot. Bonds2

About 2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine

2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine (PubChem CID 84635365) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine
PubChem CID84635365
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine
SMILESCc1ccc2c(c1)NC(C)C(CCN)S2(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-8-3-4-12-10(7-8)14-9(2)11(5-6-13)17(12,15)16/h3-4,7,9,11,14H,5-6,13H2,1-2H3
InChIKeyYKFRHDOSBLQBER-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine with MolForge

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Related Compounds

3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carbonitrile
CID 84628381
2-(2-aminoethyl)-7-methyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84635223
(6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanol
CID 84625306
(3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
CID 84621174
6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine
CID 130008785
2-(6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetonitrile
CID 84628383
2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84621176
2-(7-bromo-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)acetic acid
CID 84646452
3-(5-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 117201791
2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
CID 84620897
2-amino-1-(3,6-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone
CID 84640784
N-(3-fluoro-4-methylphenyl)-6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 53086430

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine?
The IUPAC name of 2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine (CID 84635365) is 2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine.
What is the SMILES notation for 2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine?
The canonical SMILES for 2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine is Cc1ccc2c(c1)NC(C)C(CCN)S2(=O)=O.
What is the InChIKey of 2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine?
The InChIKey is YKFRHDOSBLQBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-3-4-12-10(7-8)14-9(2)11(5-6-13)17(12,15)16/h3-4,7,9,11,14H,5-6,13H2,1-2H3.
What are the key properties of 2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine?
2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine has a molecular weight of 254.35 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)ethanamine is sourced from PubChem (CID 84635365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).