N'-ethyl-N-methylsulfanylbut-3-enimidamide

C7H14N2S — CID 89340990

IUPACN'-ethyl-N-methylsulfanylbut-3-enimidamide
SMILESC=CC/C(=N\CC)NSC
InChIInChI=1S/C7H14N2S/c1-4-6-7(8-5-2)9-10-3/h4H,1,5-6H2,2-3H3,(H,8,9)
InChIKeyVKODEEHTRIMRHQ-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.85
Rot. Bonds4

About N'-ethyl-N-methylsulfanylbut-3-enimidamide

N'-ethyl-N-methylsulfanylbut-3-enimidamide (PubChem CID 89340990) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is N'-ethyl-N-methylsulfanylbut-3-enimidamide.

Molecular Properties

Compound NameN'-ethyl-N-methylsulfanylbut-3-enimidamide
PubChem CID89340990
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameN'-ethyl-N-methylsulfanylbut-3-enimidamide
SMILESC=CC/C(=N\CC)NSC
InChIInChI=1S/C7H14N2S/c1-4-6-7(8-5-2)9-10-3/h4H,1,5-6H2,2-3H3,(H,8,9)
InChIKeyVKODEEHTRIMRHQ-UHFFFAOYSA-N
XLogP1.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.85
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methylsulfanylbut-3-enimidamide?
The IUPAC name of N'-ethyl-N-methylsulfanylbut-3-enimidamide (CID 89340990) is N'-ethyl-N-methylsulfanylbut-3-enimidamide.
What is the SMILES notation for N'-ethyl-N-methylsulfanylbut-3-enimidamide?
The canonical SMILES for N'-ethyl-N-methylsulfanylbut-3-enimidamide is C=CC/C(=N\CC)NSC.
What is the InChIKey of N'-ethyl-N-methylsulfanylbut-3-enimidamide?
The InChIKey is VKODEEHTRIMRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-4-6-7(8-5-2)9-10-3/h4H,1,5-6H2,2-3H3,(H,8,9).
What are the key properties of N'-ethyl-N-methylsulfanylbut-3-enimidamide?
N'-ethyl-N-methylsulfanylbut-3-enimidamide has a molecular weight of 158.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methylsulfanylbut-3-enimidamide is sourced from PubChem (CID 89340990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).