N-cyano-2-methyl-3-methylsulfanylpropanamide

C6H10N2OS — CID 130485966

IUPACN-cyano-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NC#N
InChIInChI=1S/C6H10N2OS/c1-5(3-10-2)6(9)8-4-7/h5H,3H2,1-2H3,(H,8,9)
InChIKeyQNJCVKRGXSLPCV-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.58
Rot. Bonds3

About N-cyano-2-methyl-3-methylsulfanylpropanamide

N-cyano-2-methyl-3-methylsulfanylpropanamide (PubChem CID 130485966) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is N-cyano-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-cyano-2-methyl-3-methylsulfanylpropanamide
PubChem CID130485966
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC NameN-cyano-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NC#N
InChIInChI=1S/C6H10N2OS/c1-5(3-10-2)6(9)8-4-7/h5H,3H2,1-2H3,(H,8,9)
InChIKeyQNJCVKRGXSLPCV-UHFFFAOYSA-N
XLogP0.58
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
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-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-cyano-2-methyl-3-methylsulfanylpropanamide (CID 130485966) is N-cyano-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-cyano-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-cyano-2-methyl-3-methylsulfanylpropanamide is CSCC(C)C(=O)NC#N.
What is the InChIKey of N-cyano-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is QNJCVKRGXSLPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-5(3-10-2)6(9)8-4-7/h5H,3H2,1-2H3,(H,8,9).
What are the key properties of N-cyano-2-methyl-3-methylsulfanylpropanamide?
N-cyano-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 158.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 130485966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).