2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide

C12H15IN2O3S — CID 80519811

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)Nc1ccc(I)cc1
InChIInChI=1S/C12H15IN2O3S/c13-9-1-3-10(4-2-9)15-12(16)7-11-8-19(17,18)6-5-14-11/h1-4,11,14H,5-8H2,(H,15,16)
InChIKeyQYJMKVXOWMMALW-UHFFFAOYSA-N
MW394.23 g/mol
LogP1.01
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide (PubChem CID 80519811) has the molecular formula C12H15IN2O3S and a molecular weight of 394.23 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide
PubChem CID80519811
Molecular FormulaC12H15IN2O3S
Molecular Weight394.23 g/mol
Exact Mass393.98
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)Nc1ccc(I)cc1
InChIInChI=1S/C12H15IN2O3S/c13-9-1-3-10(4-2-9)15-12(16)7-11-8-19(17,18)6-5-14-11/h1-4,11,14H,5-8H2,(H,15,16)
InChIKeyQYJMKVXOWMMALW-UHFFFAOYSA-N
XLogP1.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
CID 80519870
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
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide
CID 80518373
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518042
N-(2,6-dibromophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107599760
N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520720
N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107805198
N-(2-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519806
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,4,5-trifluorophenyl)acetamide
CID 80518211
N-(2-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519948

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide (CID 80519811) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide is O=C(CC1CS(=O)(=O)CCN1)Nc1ccc(I)cc1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide?
The InChIKey is QYJMKVXOWMMALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O3S/c13-9-1-3-10(4-2-9)15-12(16)7-11-8-19(17,18)6-5-14-11/h1-4,11,14H,5-8H2,(H,15,16).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide has a molecular weight of 394.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 80519811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).