N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine

C6H11NS — CID 129194179

IUPACN-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine
SMILESC/C=N/C=C(/C)SC
InChIInChI=1S/C6H11NS/c1-4-7-5-6(2)8-3/h4-5H,1-3H3/b6-5-,7-4+
InChIKeyZINLDSRNMISIDP-IUQJDUBZSA-N
MW129.23 g/mol
LogP2.30
Rot. Bonds2

About N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine

N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine (PubChem CID 129194179) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine
PubChem CID129194179
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine
SMILESC/C=N/C=C(/C)SC
InChIInChI=1S/C6H11NS/c1-4-7-5-6(2)8-3/h4-5H,1-3H3/b6-5-,7-4+
InChIKeyZINLDSRNMISIDP-IUQJDUBZSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.30
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-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine (CID 129194179) is N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine is C/C=N/C=C(/C)SC.
What is the InChIKey of N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine?
The InChIKey is ZINLDSRNMISIDP-IUQJDUBZSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-7-5-6(2)8-3/h4-5H,1-3H3/b6-5-,7-4+.
What are the key properties of N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine?
N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine has a molecular weight of 129.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methylsulfanylprop-1-enyl]ethanimine is sourced from PubChem (CID 129194179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).