N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide

C6H12N2S — CID 143367815

IUPACN'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide
SMILESC/N=C/N/C=C(/C)SC
InChIInChI=1S/C6H12N2S/c1-6(9-3)4-8-5-7-2/h4-5H,1-3H3,(H,7,8)/b6-4-
InChIKeyABKJCWJPAUHLIK-XQRVVYSFSA-N
MW144.24 g/mol
LogP1.46
Rot. Bonds3

About N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide

N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide (PubChem CID 143367815) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide
PubChem CID143367815
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC NameN'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide
SMILESC/N=C/N/C=C(/C)SC
InChIInChI=1S/C6H12N2S/c1-6(9-3)4-8-5-7-2/h4-5H,1-3H3,(H,7,8)/b6-4-
InChIKeyABKJCWJPAUHLIK-XQRVVYSFSA-N
XLogP1.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide?
The IUPAC name of N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide (CID 143367815) is N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide is C/N=C/N/C=C(/C)SC.
What is the InChIKey of N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide?
The InChIKey is ABKJCWJPAUHLIK-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H12N2S/c1-6(9-3)4-8-5-7-2/h4-5H,1-3H3,(H,7,8)/b6-4-.
What are the key properties of N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide?
N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide has a molecular weight of 144.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(Z)-2-methylsulfanylprop-1-enyl]methanimidamide is sourced from PubChem (CID 143367815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).