4-(2-aminoethyl)-1,4-benzothiazin-3-one

C10H12N2OS — CID 29021484

IUPAC4-(2-aminoethyl)-1,4-benzothiazin-3-one
SMILESNCCN1C(=O)CSc2ccccc21
InChIInChI=1S/C10H12N2OS/c11-5-6-12-8-3-1-2-4-9(8)14-7-10(12)13/h1-4H,5-7,11H2
InChIKeyHKZYDEICXLLPBH-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.08
Rot. Bonds2

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

4-(2-aminoethyl)-1,4-benzothiazin-3-one (PubChem CID 29021484) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-1,4-benzothiazin-3-one
PubChem CID29021484
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name4-(2-aminoethyl)-1,4-benzothiazin-3-one
SMILESNCCN1C(=O)CSc2ccccc21
InChIInChI=1S/C10H12N2OS/c11-5-6-12-8-3-1-2-4-9(8)14-7-10(12)13/h1-4H,5-7,11H2
InChIKeyHKZYDEICXLLPBH-UHFFFAOYSA-N
XLogP1.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1,4-benzothiazin-3-one?
The IUPAC name of 4-(2-aminoethyl)-1,4-benzothiazin-3-one (CID 29021484) is 4-(2-aminoethyl)-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-1,4-benzothiazin-3-one?
The canonical SMILES for 4-(2-aminoethyl)-1,4-benzothiazin-3-one is NCCN1C(=O)CSc2ccccc21.
What is the InChIKey of 4-(2-aminoethyl)-1,4-benzothiazin-3-one?
The InChIKey is HKZYDEICXLLPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-5-6-12-8-3-1-2-4-9(8)14-7-10(12)13/h1-4H,5-7,11H2.
What are the key properties of 4-(2-aminoethyl)-1,4-benzothiazin-3-one?
4-(2-aminoethyl)-1,4-benzothiazin-3-one has a molecular weight of 208.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1,4-benzothiazin-3-one is sourced from PubChem (CID 29021484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).