N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C15H23N3O3S2 — CID 5189439

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1nc(C)c(C)c(C)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H23N3O3S2/c1-5-18(13-6-7-23(20,21)9-13)14(19)8-22-15-16-11(3)10(2)12(4)17-15/h13H,5-9H2,1-4H3
InChIKeyAOZYAXBUCRJMRH-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.53
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 5189439) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID5189439
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1nc(C)c(C)c(C)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H23N3O3S2/c1-5-18(13-6-7-23(20,21)9-13)14(19)8-22-15-16-11(3)10(2)12(4)17-15/h13H,5-9H2,1-4H3
InChIKeyAOZYAXBUCRJMRH-UHFFFAOYSA-N
XLogP1.53
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 5189439) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is CCN(C(=O)CSc1nc(C)c(C)c(C)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is AOZYAXBUCRJMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-5-18(13-6-7-23(20,21)9-13)14(19)8-22-15-16-11(3)10(2)12(4)17-15/h13H,5-9H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 357.50 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 5189439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).