N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide

C5H10N2S — CID 163443412

IUPACN'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide
SMILESC/N=C(\C)N/C=C\S
InChIInChI=1S/C5H10N2S/c1-5(6-2)7-3-4-8/h3-4,8H,1-2H3,(H,6,7)/b4-3-
InChIKeyBAMGHLFAVOWIFS-ARJAWSKDSA-N
MW130.22 g/mol
LogP1.03
Rot. Bonds1

About N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide

N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide (PubChem CID 163443412) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide
PubChem CID163443412
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC NameN'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide
SMILESC/N=C(\C)N/C=C\S
InChIInChI=1S/C5H10N2S/c1-5(6-2)7-3-4-8/h3-4,8H,1-2H3,(H,6,7)/b4-3-
InChIKeyBAMGHLFAVOWIFS-ARJAWSKDSA-N
XLogP1.03
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
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': 'thiol_2', 'substructure': 'N/A'}

Analyze N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide 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'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide?
The IUPAC name of N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide (CID 163443412) is N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide.
What is the SMILES notation for N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide?
The canonical SMILES for N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide is C/N=C(\C)N/C=C\S.
What is the InChIKey of N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide?
The InChIKey is BAMGHLFAVOWIFS-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H10N2S/c1-5(6-2)7-3-4-8/h3-4,8H,1-2H3,(H,6,7)/b4-3-.
What are the key properties of N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide?
N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide has a molecular weight of 130.22 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(Z)-2-sulfanylethenyl]ethanimidamide is sourced from PubChem (CID 163443412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).