2-(6-methylsulfanylhexyl)guanidine

C8H19N3S — CID 59806974

IUPAC2-(6-methylsulfanylhexyl)guanidine
SMILESCSCCCCCCN=C(N)N
InChIInChI=1S/C8H19N3S/c1-12-7-5-3-2-4-6-11-8(9)10/h2-7H2,1H3,(H4,9,10,11)
InChIKeyUSEYVGOGMJWZTK-UHFFFAOYSA-N
MW189.33 g/mol
LogP1.18
Rot. Bonds7

About 2-(6-methylsulfanylhexyl)guanidine

2-(6-methylsulfanylhexyl)guanidine (PubChem CID 59806974) has the molecular formula C8H19N3S and a molecular weight of 189.33 g/mol. Its IUPAC name is 2-(6-methylsulfanylhexyl)guanidine.

Molecular Properties

Compound Name2-(6-methylsulfanylhexyl)guanidine
PubChem CID59806974
Molecular FormulaC8H19N3S
Molecular Weight189.33 g/mol
Exact Mass189.13
IUPAC Name2-(6-methylsulfanylhexyl)guanidine
SMILESCSCCCCCCN=C(N)N
InChIInChI=1S/C8H19N3S/c1-12-7-5-3-2-4-6-11-8(9)10/h2-7H2,1H3,(H4,9,10,11)
InChIKeyUSEYVGOGMJWZTK-UHFFFAOYSA-N
XLogP1.18
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(6-methylsulfanylhexyl)guanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-butan-2-yl-2-(6-methylsulfanylhexyl)guanidine
CID 110029262
1-hexyl-2-(6-methylsulfanylhexyl)guanidine;hydroiodide
CID 110032081
1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine
CID 111435809
6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide
CID 45263460
2-(6-methylsulfanyl-6-sulfanylhexyl)guanidine
CID 130292638
1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111435808
1-(3,5-dimethylphenyl)-2-(6-methylsulfanylhexyl)guanidine;hydroiodide
CID 110032052
2-(4-aminobutyl)guanidine
CID 22560045
4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
CID 111435807
bis[8-(diaminomethylideneamino)octyl]azanium
CID 22618664
1-amino-2-(4-methylsulfanylbutyl)-3-propan-2-ylguanidine
CID 104888519
2-hexyl-1-(2-methylsulfanylethyl)guanidine
CID 111030352

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfanylhexyl)guanidine?
The IUPAC name of 2-(6-methylsulfanylhexyl)guanidine (CID 59806974) is 2-(6-methylsulfanylhexyl)guanidine.
What is the SMILES notation for 2-(6-methylsulfanylhexyl)guanidine?
The canonical SMILES for 2-(6-methylsulfanylhexyl)guanidine is CSCCCCCCN=C(N)N.
What is the InChIKey of 2-(6-methylsulfanylhexyl)guanidine?
The InChIKey is USEYVGOGMJWZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3S/c1-12-7-5-3-2-4-6-11-8(9)10/h2-7H2,1H3,(H4,9,10,11).
What are the key properties of 2-(6-methylsulfanylhexyl)guanidine?
2-(6-methylsulfanylhexyl)guanidine has a molecular weight of 189.33 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfanylhexyl)guanidine is sourced from PubChem (CID 59806974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).