N-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine

C7H13NS — CID 89307973

IUPACN-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine
SMILESCS/C(C)=C\N=C(C)C
InChIInChI=1S/C7H13NS/c1-6(2)8-5-7(3)9-4/h5H,1-4H3/b7-5-
InChIKeyCORRFXODXFILKM-ALCCZGGFSA-N
MW143.25 g/mol
LogP2.69
Rot. Bonds2

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

N-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine (PubChem CID 89307973) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is N-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine.

Molecular Properties

Compound NameN-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine
PubChem CID89307973
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC NameN-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine
SMILESCS/C(C)=C\N=C(C)C
InChIInChI=1S/C7H13NS/c1-6(2)8-5-7(3)9-4/h5H,1-4H3/b7-5-
InChIKeyCORRFXODXFILKM-ALCCZGGFSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.69
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]propan-2-imine?
The IUPAC name of N-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine (CID 89307973) is N-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine.
What is the SMILES notation for N-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine?
The canonical SMILES for N-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine is CS/C(C)=C\N=C(C)C.
What is the InChIKey of N-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine?
The InChIKey is CORRFXODXFILKM-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H13NS/c1-6(2)8-5-7(3)9-4/h5H,1-4H3/b7-5-.
What are the key properties of N-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine?
N-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine has a molecular weight of 143.25 g/mol, XLogP of 2.69, 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]propan-2-imine is sourced from PubChem (CID 89307973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).