2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide

C14H19N3O5S — CID 135777571

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C14H19N3O5S/c1-22-12-2-3-13(18)11(8-12)9-15-16-14(19)10-17-4-6-23(20,21)7-5-17/h2-3,8-9,18H,4-7,10H2,1H3,(H,16,19)/b15-9+
InChIKeyIFICMIQELDFYSV-OQLLNIDSSA-N
MW341.39 g/mol
LogP-0.42
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135777571) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
PubChem CID135777571
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C14H19N3O5S/c1-22-12-2-3-13(18)11(8-12)9-15-16-14(19)10-17-4-6-23(20,21)7-5-17/h2-3,8-9,18H,4-7,10H2,1H3,(H,16,19)/b15-9+
InChIKeyIFICMIQELDFYSV-OQLLNIDSSA-N
XLogP-0.42
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 5338398
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 5406502
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 788742
2-(azocan-1-yl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 5338397
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 136688596
2-anilino-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662896
2-(4-bromoanilino)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135678709
2-(3,5-dimethylphenoxy)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135614054
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-[2-[(2E)-2-[(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135867567
N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]butanediamide
CID 135567726
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 3330372

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide (CID 135777571) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide is COc1ccc(O)c(/C=N/NC(=O)CN2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is IFICMIQELDFYSV-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-22-12-2-3-13(18)11(8-12)9-15-16-14(19)10-17-4-6-23(20,21)7-5-17/h2-3,8-9,18H,4-7,10H2,1H3,(H,16,19)/b15-9+.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 341.39 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135777571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).