2-methylsulfanylacetamide

C3H7NOS — CID 547873

IUPAC2-methylsulfanylacetamide
SMILESCSCC(N)=O
InChIInChI=1S/C3H7NOS/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)
InChIKeyOBENGAMZEGRSIC-UHFFFAOYSA-N
MW105.16 g/mol
LogP-0.17
Rot. Bonds2

About 2-methylsulfanylacetamide

2-methylsulfanylacetamide (PubChem CID 547873) has the molecular formula C3H7NOS and a molecular weight of 105.16 g/mol. Its IUPAC name is 2-methylsulfanylacetamide.

Molecular Properties

Compound Name2-methylsulfanylacetamide
PubChem CID547873
Molecular FormulaC3H7NOS
Molecular Weight105.16 g/mol
Exact Mass105.02
IUPAC Name2-methylsulfanylacetamide
SMILESCSCC(N)=O
InChIInChI=1S/C3H7NOS/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)
InChIKeyOBENGAMZEGRSIC-UHFFFAOYSA-N
XLogP-0.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylacetamide?
The IUPAC name of 2-methylsulfanylacetamide (CID 547873) is 2-methylsulfanylacetamide.
What is the SMILES notation for 2-methylsulfanylacetamide?
The canonical SMILES for 2-methylsulfanylacetamide is CSCC(N)=O.
What is the InChIKey of 2-methylsulfanylacetamide?
The InChIKey is OBENGAMZEGRSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5).
What are the key properties of 2-methylsulfanylacetamide?
2-methylsulfanylacetamide has a molecular weight of 105.16 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylacetamide is sourced from PubChem (CID 547873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).