N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide

C8H11N3S — CID 90668643

IUPACN'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide
SMILESN/C(CS)=N/Cc1ccccn1
InChIInChI=1S/C8H11N3S/c9-8(6-12)11-5-7-3-1-2-4-10-7/h1-4,12H,5-6H2,(H2,9,11)
InChIKeySRKCCQBSVJFQII-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.87
Rot. Bonds3

About N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide

N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide (PubChem CID 90668643) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide.

Molecular Properties

Compound NameN'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide
PubChem CID90668643
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC NameN'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide
SMILESN/C(CS)=N/Cc1ccccn1
InChIInChI=1S/C8H11N3S/c9-8(6-12)11-5-7-3-1-2-4-10-7/h1-4,12H,5-6H2,(H2,9,11)
InChIKeySRKCCQBSVJFQII-UHFFFAOYSA-N
XLogP0.87
TPSA51.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
CID 528154
1-amino-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 86736541
2-(pyridin-2-ylmethyl)guanidine;sulfuric acid
CID 13371455
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
2-methyl-3-(pyridin-2-ylmethylimino)butane-2-thiol
CID 101136521
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
CID 62362398
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110912092
1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111023230
N'-(pyridin-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117111
1-ethyl-3-propan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111123683
2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
CID 161239172

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide?
The IUPAC name of N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide (CID 90668643) is N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide.
What is the SMILES notation for N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide?
The canonical SMILES for N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide is N/C(CS)=N/Cc1ccccn1.
What is the InChIKey of N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide?
The InChIKey is SRKCCQBSVJFQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c9-8(6-12)11-5-7-3-1-2-4-10-7/h1-4,12H,5-6H2,(H2,9,11).
What are the key properties of N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide?
N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide has a molecular weight of 181.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide is sourced from PubChem (CID 90668643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).