N-methyl-2-methylsulfanylprop-2-en-1-imine

C5H9NS — CID 121247619

IUPACN-methyl-2-methylsulfanylprop-2-en-1-imine
SMILESC=C(/C=N/C)SC
InChIInChI=1S/C5H9NS/c1-5(7-3)4-6-2/h4H,1H2,2-3H3/b6-4+
InChIKeySHILZZUXMIUGDX-GQCTYLIASA-N
MW115.20 g/mol
LogP1.56
Rot. Bonds2

About N-methyl-2-methylsulfanylprop-2-en-1-imine

N-methyl-2-methylsulfanylprop-2-en-1-imine (PubChem CID 121247619) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is N-methyl-2-methylsulfanylprop-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanylprop-2-en-1-imine
PubChem CID121247619
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC NameN-methyl-2-methylsulfanylprop-2-en-1-imine
SMILESC=C(/C=N/C)SC
InChIInChI=1S/C5H9NS/c1-5(7-3)4-6-2/h4H,1H2,2-3H3/b6-4+
InChIKeySHILZZUXMIUGDX-GQCTYLIASA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanylprop-2-en-1-imine?
The IUPAC name of N-methyl-2-methylsulfanylprop-2-en-1-imine (CID 121247619) is N-methyl-2-methylsulfanylprop-2-en-1-imine.
What is the SMILES notation for N-methyl-2-methylsulfanylprop-2-en-1-imine?
The canonical SMILES for N-methyl-2-methylsulfanylprop-2-en-1-imine is C=C(/C=N/C)SC.
What is the InChIKey of N-methyl-2-methylsulfanylprop-2-en-1-imine?
The InChIKey is SHILZZUXMIUGDX-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NS/c1-5(7-3)4-6-2/h4H,1H2,2-3H3/b6-4+.
What are the key properties of N-methyl-2-methylsulfanylprop-2-en-1-imine?
N-methyl-2-methylsulfanylprop-2-en-1-imine has a molecular weight of 115.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanylprop-2-en-1-imine is sourced from PubChem (CID 121247619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).