N-cyano-2-ethylsulfinyl-N-methylacetamide

C6H10N2O2S — CID 87546655

IUPACN-cyano-2-ethylsulfinyl-N-methylacetamide
SMILESCCS(=O)CC(=O)N(C)C#N
InChIInChI=1S/C6H10N2O2S/c1-3-11(10)4-6(9)8(2)5-7/h3-4H2,1-2H3
InChIKeyZQOXWTGHPANBIK-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.31
Rot. Bonds3

About N-cyano-2-ethylsulfinyl-N-methylacetamide

N-cyano-2-ethylsulfinyl-N-methylacetamide (PubChem CID 87546655) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is N-cyano-2-ethylsulfinyl-N-methylacetamide.

Molecular Properties

Compound NameN-cyano-2-ethylsulfinyl-N-methylacetamide
PubChem CID87546655
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC NameN-cyano-2-ethylsulfinyl-N-methylacetamide
SMILESCCS(=O)CC(=O)N(C)C#N
InChIInChI=1S/C6H10N2O2S/c1-3-11(10)4-6(9)8(2)5-7/h3-4H2,1-2H3
InChIKeyZQOXWTGHPANBIK-UHFFFAOYSA-N
XLogP-0.31
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-2-ethylsulfinyl-N-methylacetamide?
The IUPAC name of N-cyano-2-ethylsulfinyl-N-methylacetamide (CID 87546655) is N-cyano-2-ethylsulfinyl-N-methylacetamide.
What is the SMILES notation for N-cyano-2-ethylsulfinyl-N-methylacetamide?
The canonical SMILES for N-cyano-2-ethylsulfinyl-N-methylacetamide is CCS(=O)CC(=O)N(C)C#N.
What is the InChIKey of N-cyano-2-ethylsulfinyl-N-methylacetamide?
The InChIKey is ZQOXWTGHPANBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-3-11(10)4-6(9)8(2)5-7/h3-4H2,1-2H3.
What are the key properties of N-cyano-2-ethylsulfinyl-N-methylacetamide?
N-cyano-2-ethylsulfinyl-N-methylacetamide has a molecular weight of 174.22 g/mol, XLogP of -0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-ethylsulfinyl-N-methylacetamide is sourced from PubChem (CID 87546655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).