2-ethyl-4H-1,4-benzothiazin-3-one

C10H11NOS — CID 3155601

IUPAC2-ethyl-4H-1,4-benzothiazin-3-one
SMILESCCC1Sc2ccccc2NC1=O
InChIInChI=1S/C10H11NOS/c1-2-8-10(12)11-7-5-3-4-6-9(7)13-8/h3-6,8H,2H2,1H3,(H,11,12)
InChIKeyLOQBNBMYVUDPHC-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.51
Rot. Bonds1

About 2-ethyl-4H-1,4-benzothiazin-3-one

2-ethyl-4H-1,4-benzothiazin-3-one (PubChem CID 3155601) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-ethyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-ethyl-4H-1,4-benzothiazin-3-one
PubChem CID3155601
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-ethyl-4H-1,4-benzothiazin-3-one
SMILESCCC1Sc2ccccc2NC1=O
InChIInChI=1S/C10H11NOS/c1-2-8-10(12)11-7-5-3-4-6-9(7)13-8/h3-6,8H,2H2,1H3,(H,11,12)
InChIKeyLOQBNBMYVUDPHC-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2-ethyl-4H-1,4-benzothiazin-3-one (CID 3155601) is 2-ethyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-ethyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2-ethyl-4H-1,4-benzothiazin-3-one is CCC1Sc2ccccc2NC1=O.
What is the InChIKey of 2-ethyl-4H-1,4-benzothiazin-3-one?
The InChIKey is LOQBNBMYVUDPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-2-8-10(12)11-7-5-3-4-6-9(7)13-8/h3-6,8H,2H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-4H-1,4-benzothiazin-3-one?
2-ethyl-4H-1,4-benzothiazin-3-one has a molecular weight of 193.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 3155601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).