ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate

C10H12N2O3S — CID 2216794

IUPACethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate
SMILESCCOC(=O)NC(=O)CSc1ccccn1
InChIInChI=1S/C10H12N2O3S/c1-2-15-10(14)12-8(13)7-16-9-5-3-4-6-11-9/h3-6H,2,7H2,1H3,(H,12,13,14)
InChIKeyXBHKFFJWWYBUEQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.45
Rot. Bonds4

About ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate

ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate (PubChem CID 2216794) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate
PubChem CID2216794
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Nameethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate
SMILESCCOC(=O)NC(=O)CSc1ccccn1
InChIInChI=1S/C10H12N2O3S/c1-2-15-10(14)12-8(13)7-16-9-5-3-4-6-11-9/h3-6H,2,7H2,1H3,(H,12,13,14)
InChIKeyXBHKFFJWWYBUEQ-UHFFFAOYSA-N
XLogP1.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate?
The IUPAC name of ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate (CID 2216794) is ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate.
What is the SMILES notation for ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate?
The canonical SMILES for ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate is CCOC(=O)NC(=O)CSc1ccccn1.
What is the InChIKey of ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate?
The InChIKey is XBHKFFJWWYBUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-2-15-10(14)12-8(13)7-16-9-5-3-4-6-11-9/h3-6H,2,7H2,1H3,(H,12,13,14).
What are the key properties of ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate?
ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate has a molecular weight of 240.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-pyridin-2-ylsulfanylacetyl)carbamate is sourced from PubChem (CID 2216794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).