2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide

C10H14N4O3S — CID 110687779

IUPAC2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide
SMILESO=C(CN1CCCCS1(=O)=O)Nc1ncccn1
InChIInChI=1S/C10H14N4O3S/c15-9(13-10-11-4-3-5-12-10)8-14-6-1-2-7-18(14,16)17/h3-5H,1-2,6-8H2,(H,11,12,13,15)
InChIKeyJSQKZDKYGCRREP-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.16
Rot. Bonds3

About 2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide

2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide (PubChem CID 110687779) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide
PubChem CID110687779
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide
SMILESO=C(CN1CCCCS1(=O)=O)Nc1ncccn1
InChIInChI=1S/C10H14N4O3S/c15-9(13-10-11-4-3-5-12-10)8-14-6-1-2-7-18(14,16)17/h3-5H,1-2,6-8H2,(H,11,12,13,15)
InChIKeyJSQKZDKYGCRREP-UHFFFAOYSA-N
XLogP-0.16
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide
CID 110687739
N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687768
N-[4-(dimethylamino)phenyl]-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687775
N-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687634
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 87046483
2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetohydrazide
CID 14668524
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 79410787
N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687638
3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide
CID 110687886
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 78889403
2-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxylic acid
CID 106744778
2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide
CID 107408147

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide (CID 110687779) is 2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide is O=C(CN1CCCCS1(=O)=O)Nc1ncccn1.
What is the InChIKey of 2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide?
The InChIKey is JSQKZDKYGCRREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c15-9(13-10-11-4-3-5-12-10)8-14-6-1-2-7-18(14,16)17/h3-5H,1-2,6-8H2,(H,11,12,13,15).
What are the key properties of 2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide?
2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide has a molecular weight of 270.31 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 110687779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).