6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one

C18H19N3O4S2 — CID 46349061

IUPAC6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N1Cc1ccncc1
InChIInChI=1S/C18H19N3O4S2/c22-18-13-26-17-2-1-15(27(23,24)20-7-9-25-10-8-20)11-16(17)21(18)12-14-3-5-19-6-4-14/h1-6,11H,7-10,12-13H2
InChIKeyIJCPSSSXRYXLMK-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.74
Rot. Bonds4

About 6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one

6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one (PubChem CID 46349061) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one
PubChem CID46349061
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC Name6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N1Cc1ccncc1
InChIInChI=1S/C18H19N3O4S2/c22-18-13-26-17-2-1-15(27(23,24)20-7-9-25-10-8-20)11-16(17)21(18)12-14-3-5-19-6-4-14/h1-6,11H,7-10,12-13H2
InChIKeyIJCPSSSXRYXLMK-UHFFFAOYSA-N
XLogP1.74
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one
CID 20964947
N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20903155
N-(4-fluorophenyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20903157
N-(4-methylphenyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20903189
N-(2-methylcyclohexyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20903181
(3aR)-5-[(4-methylphenyl)methyl]-7-morpholin-4-ylsulfonyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one
CID 40783232
4-(oxan-4-ylmethyl)-3-oxo-1,4-benzothiazine-6-sulfonic acid
CID 134607302
N-[3-(N-ethylanilino)propyl]-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20968190
2-(3-methyl-7-morpholin-4-ylsulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-propan-2-ylacetamide
CID 53008310
N-methyl-2-(7-morpholin-4-ylsulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-phenylacetamide
CID 53087948
N-cycloheptyl-2-(3-oxo-6-piperidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide
CID 4064303
methyl 2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917549

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one?
The IUPAC name of 6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one (CID 46349061) is 6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one?
The canonical SMILES for 6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one is O=C1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N1Cc1ccncc1.
What is the InChIKey of 6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one?
The InChIKey is IJCPSSSXRYXLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c22-18-13-26-17-2-1-15(27(23,24)20-7-9-25-10-8-20)11-16(17)21(18)12-14-3-5-19-6-4-14/h1-6,11H,7-10,12-13H2.
What are the key properties of 6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one?
6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one has a molecular weight of 405.50 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one is sourced from PubChem (CID 46349061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).