2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide

C11H15N3O3S — CID 80519870

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)Nc1ccncc1
InChIInChI=1S/C11H15N3O3S/c15-11(14-9-1-3-12-4-2-9)7-10-8-18(16,17)6-5-13-10/h1-4,10,13H,5-8H2,(H,12,14,15)
InChIKeyBXIZXYDHWUABGQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.20
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide (PubChem CID 80519870) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
PubChem CID80519870
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)Nc1ccncc1
InChIInChI=1S/C11H15N3O3S/c15-11(14-9-1-3-12-4-2-9)7-10-8-18(16,17)6-5-13-10/h1-4,10,13H,5-8H2,(H,12,14,15)
InChIKeyBXIZXYDHWUABGQ-UHFFFAOYSA-N
XLogP-0.20
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide
CID 80519811
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518042
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81410503
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-iodo-4-methylphenyl)acetamide
CID 80519865
N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520493
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 80518213
N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520720
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide
CID 80518373
N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107805198
N-(3-bromo-2-pyridinyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520883
N-(2,6-dibromophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107599760
N-(2-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519806

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide (CID 80519870) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide is O=C(CC1CS(=O)(=O)CCN1)Nc1ccncc1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide?
The InChIKey is BXIZXYDHWUABGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c15-11(14-9-1-3-12-4-2-9)7-10-8-18(16,17)6-5-13-10/h1-4,10,13H,5-8H2,(H,12,14,15).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide has a molecular weight of 269.33 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 80519870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).