N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane

C13H20N2S — CID 143529969

IUPACN'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane
SMILESC/C=N/C(=N\CC)C1=CC=CC2(C)CC12.S
InChIInChI=1S/C13H18N2.H2S/c1-4-14-12(15-5-2)10-7-6-8-13(3)9-11(10)13;/h4,6-8,11H,5,9H2,1-3H3;1H2/b14-4+,15-12-;
InChIKeyRXHIMJUOVFTADY-RKNFKFRFSA-N
MW236.38 g/mol
LogP3.13
Rot. Bonds2

About N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane

N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane (PubChem CID 143529969) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane.

Molecular Properties

Compound NameN'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane
PubChem CID143529969
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane
SMILESC/C=N/C(=N\CC)C1=CC=CC2(C)CC12.S
InChIInChI=1S/C13H18N2.H2S/c1-4-14-12(15-5-2)10-7-6-8-13(3)9-11(10)13;/h4,6-8,11H,5,9H2,1-3H3;1H2/b14-4+,15-12-;
InChIKeyRXHIMJUOVFTADY-RKNFKFRFSA-N
XLogP3.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane?
The IUPAC name of N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane (CID 143529969) is N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane.
What is the SMILES notation for N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane?
The canonical SMILES for N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane is C/C=N/C(=N\CC)C1=CC=CC2(C)CC12.S.
What is the InChIKey of N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane?
The InChIKey is RXHIMJUOVFTADY-RKNFKFRFSA-N. The full InChI is InChI=1S/C13H18N2.H2S/c1-4-14-12(15-5-2)10-7-6-8-13(3)9-11(10)13;/h4,6-8,11H,5,9H2,1-3H3;1H2/b14-4+,15-12-;.
What are the key properties of N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane?
N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane has a molecular weight of 236.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-ethylidene-6-methylbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide;sulfane is sourced from PubChem (CID 143529969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).