2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one

C14H20N2OS — CID 79814596

IUPAC2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
SMILESCCC(N)(CC)C(=O)N1CCSc2ccccc21
InChIInChI=1S/C14H20N2OS/c1-3-14(15,4-2)13(17)16-9-10-18-12-8-6-5-7-11(12)16/h5-8H,3-4,9-10,15H2,1-2H3
InChIKeyCHWJQSPBXOXBOU-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.64
Rot. Bonds3

About 2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one

2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one (PubChem CID 79814596) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
PubChem CID79814596
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
SMILESCCC(N)(CC)C(=O)N1CCSc2ccccc21
InChIInChI=1S/C14H20N2OS/c1-3-14(15,4-2)13(17)16-9-10-18-12-8-6-5-7-11(12)16/h5-8H,3-4,9-10,15H2,1-2H3
InChIKeyCHWJQSPBXOXBOU-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one?
The IUPAC name of 2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one (CID 79814596) is 2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one is CCC(N)(CC)C(=O)N1CCSc2ccccc21.
What is the InChIKey of 2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one?
The InChIKey is CHWJQSPBXOXBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-14(15,4-2)13(17)16-9-10-18-12-8-6-5-7-11(12)16/h5-8H,3-4,9-10,15H2,1-2H3.
What are the key properties of 2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one?
2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one has a molecular weight of 264.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one is sourced from PubChem (CID 79814596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).