6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one

C13H18N2OS — CID 115259519

IUPAC6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one
SMILESCCN1C(=O)C(C)Sc2ccc(CCN)cc21
InChIInChI=1S/C13H18N2OS/c1-3-15-11-8-10(6-7-14)4-5-12(11)17-9(2)13(15)16/h4-5,8-9H,3,6-7,14H2,1-2H3
InChIKeyWXAOENHPKYLBLE-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.03
Rot. Bonds3

About 6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one

6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one (PubChem CID 115259519) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one
PubChem CID115259519
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one
SMILESCCN1C(=O)C(C)Sc2ccc(CCN)cc21
InChIInChI=1S/C13H18N2OS/c1-3-15-11-8-10(6-7-14)4-5-12(11)17-9(2)13(15)16/h4-5,8-9H,3,6-7,14H2,1-2H3
InChIKeyWXAOENHPKYLBLE-UHFFFAOYSA-N
XLogP2.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-aminoethyl)-2-methyl-3-oxo-1,4-benzothiazine-4-carbonyl bromide
CID 115193965
6-(aminomethyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzothiazin-3-one
CID 115216197
6-amino-4-(3-aminopropyl)-2-methyl-1,4-benzothiazin-3-one
CID 115197127
6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one
CID 115260501
6-(aminomethyl)-2-methyl-3-oxo-1,4-benzothiazine-4-carbonyl cyanide
CID 115172217
6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
CID 84615627
6-(4-aminobutyl)-4-ethyl-2-methyl-1,4-benzoxazin-3-one
CID 82339705
2-[6-(2-aminoethyl)-3-oxo-1,4-benzothiazin-4-yl]acetonitrile
CID 115131264
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one
CID 115258410
4-(2-hydroxyethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one
CID 115216152
2-methyl-6-(methylamino)-4-(2-sulfanylethyl)-1,4-benzothiazin-3-one
CID 115223847

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one?
The IUPAC name of 6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one (CID 115259519) is 6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one?
The canonical SMILES for 6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one is CCN1C(=O)C(C)Sc2ccc(CCN)cc21.
What is the InChIKey of 6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one?
The InChIKey is WXAOENHPKYLBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-15-11-8-10(6-7-14)4-5-12(11)17-9(2)13(15)16/h4-5,8-9H,3,6-7,14H2,1-2H3.
What are the key properties of 6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one?
6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one has a molecular weight of 250.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 115259519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).