N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide

C10H13N3O3S2 — CID 11947660

IUPACN-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H13N3O3S2/c14-9(6-17-10-11-3-1-4-12-10)13-8-2-5-18(15,16)7-8/h1,3-4,8H,2,5-7H2,(H,13,14)
InChIKeyUVPJYLYAHOOUHF-UHFFFAOYSA-N
MW287.37 g/mol
LogP-0.13
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 11947660) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID11947660
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H13N3O3S2/c14-9(6-17-10-11-3-1-4-12-10)13-8-2-5-18(15,16)7-8/h1,3-4,8H,2,5-7H2,(H,13,14)
InChIKeyUVPJYLYAHOOUHF-UHFFFAOYSA-N
XLogP-0.13
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 11947660) is N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is UVPJYLYAHOOUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c14-9(6-17-10-11-3-1-4-12-10)13-8-2-5-18(15,16)7-8/h1,3-4,8H,2,5-7H2,(H,13,14).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 287.37 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 11947660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).