6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one

C13H18N2OS — CID 115259622

IUPAC6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one
SMILESCCN(C)CCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H18N2OS/c1-3-15(2)7-6-10-4-5-12-11(8-10)14-13(16)9-17-12/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,16)
InChIKeyLDUSPBLRILLOTH-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.22
Rot. Bonds4

About 6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one

6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one (PubChem CID 115259622) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one
PubChem CID115259622
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one
SMILESCCN(C)CCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H18N2OS/c1-3-15(2)7-6-10-4-5-12-11(8-10)14-13(16)9-17-12/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,16)
InChIKeyLDUSPBLRILLOTH-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one (CID 115259622) is 6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one is CCN(C)CCc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is LDUSPBLRILLOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-15(2)7-6-10-4-5-12-11(8-10)14-13(16)9-17-12/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,16).
What are the key properties of 6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one?
6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 250.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 115259622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).