1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C18H24ClIN4S — CID 111193819

IUPAC1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccccn1)NCCSc1ccc(Cl)cc1.I
InChIInChI=1S/C18H23ClN4S.HI/c1-2-20-18(22-12-10-16-5-3-4-11-21-16)23-13-14-24-17-8-6-15(19)7-9-17;/h3-9,11H,2,10,12-14H2,1H3,(H2,20,22,23);1H
InChIKeyPARYLOYERCKSDO-UHFFFAOYSA-N
MW490.84 g/mol
LogP4.24
Rot. Bonds8

About 1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide

1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111193819) has the molecular formula C18H24ClIN4S and a molecular weight of 490.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111193819
Molecular FormulaC18H24ClIN4S
Molecular Weight490.84 g/mol
Exact Mass490.05
IUPAC Name1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccccn1)NCCSc1ccc(Cl)cc1.I
InChIInChI=1S/C18H23ClN4S.HI/c1-2-20-18(22-12-10-16-5-3-4-11-21-16)23-13-14-24-17-8-6-15(19)7-9-17;/h3-9,11H,2,10,12-14H2,1H3,(H2,20,22,23);1H
InChIKeyPARYLOYERCKSDO-UHFFFAOYSA-N
XLogP4.24
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.84
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chlorophenyl)sulfanylethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192944
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-[2-(3,4-difluorophenoxy)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111835802
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111194200
N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111191360
1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-ethylsulfonylethyl)guanidine
CID 111372383
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
3-[[[2-(4-chlorophenyl)sulfanylethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111372132
1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111372134
1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-sulfamoylethyl)guanidine
CID 111372333
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111782018

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111193819) is 1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CCN/C(=N\CCc1ccccn1)NCCSc1ccc(Cl)cc1.I.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is PARYLOYERCKSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4S.HI/c1-2-20-18(22-12-10-16-5-3-4-11-21-16)23-13-14-24-17-8-6-15(19)7-9-17;/h3-9,11H,2,10,12-14H2,1H3,(H2,20,22,23);1H.
What are the key properties of 1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 490.84 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111193819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).