N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C12H13N3O4S2 — CID 2563905

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESO=C(COc1ncnc2sccc12)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H13N3O4S2/c16-10(15-8-2-4-21(17,18)6-8)5-19-11-9-1-3-20-12(9)14-7-13-11/h1,3,7-8H,2,4-6H2,(H,15,16)/t8-/m1/s1
InChIKeyPDZRTYXDPQUUEF-MRVPVSSYSA-N
MW327.39 g/mol
LogP0.37
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 2563905) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID2563905
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESO=C(COc1ncnc2sccc12)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H13N3O4S2/c16-10(15-8-2-4-21(17,18)6-8)5-19-11-9-1-3-20-12(9)14-7-13-11/h1,3,7-8H,2,4-6H2,(H,15,16)/t8-/m1/s1
InChIKeyPDZRTYXDPQUUEF-MRVPVSSYSA-N
XLogP0.37
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide with MolForge

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Related Compounds

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3995796
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2467042
3-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336180
2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
CID 115596203
N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide
CID 110852790
N-[[(2R)-oxolan-2-yl]methyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2504910
N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2536928
2-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 43214296
N-(1,1-dioxothiolan-3-yl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 11947642
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 6601801
2-(3,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41099474
2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6601206

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 2563905) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is O=C(COc1ncnc2sccc12)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is PDZRTYXDPQUUEF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c16-10(15-8-2-4-21(17,18)6-8)5-19-11-9-1-3-20-12(9)14-7-13-11/h1,3,7-8H,2,4-6H2,(H,15,16)/t8-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 327.39 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 2563905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).