1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine

C13H22ClN3OS — CID 110974425

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\CCCOC)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H22ClN3OS/c1-3-15-13(16-8-4-10-18-2)17-9-7-11-5-6-12(14)19-11/h5-6H,3-4,7-10H2,1-2H3,(H2,15,16,17)
InChIKeySCQAQESIJAMTKQ-UHFFFAOYSA-N
MW303.86 g/mol
LogP2.54
Rot. Bonds8

About 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine (PubChem CID 110974425) has the molecular formula C13H22ClN3OS and a molecular weight of 303.86 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
PubChem CID110974425
Molecular FormulaC13H22ClN3OS
Molecular Weight303.86 g/mol
Exact Mass303.12
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\CCCOC)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H22ClN3OS/c1-3-15-13(16-8-4-10-18-2)17-9-7-11-5-6-12(14)19-11/h5-6H,3-4,7-10H2,1-2H3,(H2,15,16,17)
InChIKeySCQAQESIJAMTKQ-UHFFFAOYSA-N
XLogP2.54
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 52.54
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'}

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111651024
1-[2-(5-bromothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110973863
2-butyl-1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111150383
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110976239
1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine
CID 111351434
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-(5-methoxypentyl)guanidine
CID 111197170
2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111354200
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111215942
1-[2-(3,5-difluorophenyl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110974740
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 111759049
1-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine;hydroiodide
CID 111652463
2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 111544479

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine (CID 110974425) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine is CCN/C(=N\CCCOC)NCCc1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine?
The InChIKey is SCQAQESIJAMTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3OS/c1-3-15-13(16-8-4-10-18-2)17-9-7-11-5-6-12(14)19-11/h5-6H,3-4,7-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine?
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine has a molecular weight of 303.86 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine is sourced from PubChem (CID 110974425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).