2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one

C18H17N3O2S — CID 59750387

IUPAC2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one
SMILESO=c1nc(-c2cccc(CN3CCOCC3)n2)sc2ccccc12
InChIInChI=1S/C18H17N3O2S/c22-17-14-5-1-2-7-16(14)24-18(20-17)15-6-3-4-13(19-15)12-21-8-10-23-11-9-21/h1-7H,8-12H2
InChIKeyAISVWEXXNSEBAH-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.55
Rot. Bonds3

About 2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one

2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one (PubChem CID 59750387) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one
PubChem CID59750387
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one
SMILESO=c1nc(-c2cccc(CN3CCOCC3)n2)sc2ccccc12
InChIInChI=1S/C18H17N3O2S/c22-17-14-5-1-2-7-16(14)24-18(20-17)15-6-3-4-13(19-15)12-21-8-10-23-11-9-21/h1-7H,8-12H2
InChIKeyAISVWEXXNSEBAH-UHFFFAOYSA-N
XLogP2.55
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one?
The IUPAC name of 2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one (CID 59750387) is 2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one.
What is the SMILES notation for 2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one?
The canonical SMILES for 2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one is O=c1nc(-c2cccc(CN3CCOCC3)n2)sc2ccccc12.
What is the InChIKey of 2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one?
The InChIKey is AISVWEXXNSEBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17-14-5-1-2-7-16(14)24-18(20-17)15-6-3-4-13(19-15)12-21-8-10-23-11-9-21/h1-7H,8-12H2.
What are the key properties of 2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one?
2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one has a molecular weight of 339.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one is sourced from PubChem (CID 59750387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).