methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate

C10H12N2O3S — CID 2729282

IUPACmethyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate
SMILESCOC(=O)CNC(=O)CSc1ccccn1
InChIInChI=1S/C10H12N2O3S/c1-15-10(14)6-12-8(13)7-16-9-4-2-3-5-11-9/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeySXDIUCPRDKXKFW-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.46
Rot. Bonds5

About methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate

methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate (PubChem CID 2729282) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate
PubChem CID2729282
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Namemethyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate
SMILESCOC(=O)CNC(=O)CSc1ccccn1
InChIInChI=1S/C10H12N2O3S/c1-15-10(14)6-12-8(13)7-16-9-4-2-3-5-11-9/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeySXDIUCPRDKXKFW-UHFFFAOYSA-N
XLogP0.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate?
The IUPAC name of methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate (CID 2729282) is methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate is COC(=O)CNC(=O)CSc1ccccn1.
What is the InChIKey of methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate?
The InChIKey is SXDIUCPRDKXKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-15-10(14)6-12-8(13)7-16-9-4-2-3-5-11-9/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate?
methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate has a molecular weight of 240.28 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]acetate is sourced from PubChem (CID 2729282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).