1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine

C12H18N2O2S — CID 84635329

IUPAC1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine
SMILESCCc1cccc2c1NC(CNC)CS2(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-3-9-5-4-6-11-12(9)14-10(7-13-2)8-17(11,15)16/h4-6,10,13-14H,3,7-8H2,1-2H3
InChIKeyBADUFDGVTLREKR-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.04
Rot. Bonds3

About 1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine

1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine (PubChem CID 84635329) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine
PubChem CID84635329
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine
SMILESCCc1cccc2c1NC(CNC)CS2(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-3-9-5-4-6-11-12(9)14-10(7-13-2)8-17(11,15)16/h4-6,10,13-14H,3,7-8H2,1-2H3
InChIKeyBADUFDGVTLREKR-UHFFFAOYSA-N
XLogP1.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine with MolForge

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Related Compounds

3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84625811
5-chloro-3-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84632115
5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84621585
(5-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
CID 84625983
2-(5-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetonitrile
CID 84636342
5-ethyl-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carbonitrile
CID 84633791
3-tert-butyl-5-methyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84634983
1-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylmethanamine
CID 84635562
(1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
CID 84621691
N-methyl-1-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl)propan-2-amine
CID 117203096
1-(7-methoxy-2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
CID 83860483
N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
CID 84621166

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine (CID 84635329) is 1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine is CCc1cccc2c1NC(CNC)CS2(=O)=O.
What is the InChIKey of 1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine?
The InChIKey is BADUFDGVTLREKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-9-5-4-6-11-12(9)14-10(7-13-2)8-17(11,15)16/h4-6,10,13-14H,3,7-8H2,1-2H3.
What are the key properties of 1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine?
1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine has a molecular weight of 254.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 84635329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).