1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide

C19H32IN3O2S — CID 110053955

IUPAC1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide
SMILESCSC1CCC(N/C(=N/CC2CCCCO2)NCCc2ccco2)C1.I
InChIInChI=1S/C19H31N3O2S.HI/c1-25-18-8-7-15(13-18)22-19(20-10-9-16-6-4-12-23-16)21-14-17-5-2-3-11-24-17;/h4,6,12,15,17-18H,2-3,5,7-11,13-14H2,1H3,(H2,20,21,22);1H
InChIKeyWZMOPDRXTRLYRQ-UHFFFAOYSA-N
MW493.46 g/mol
LogP3.83
Rot. Bonds7

About 1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide

1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide (PubChem CID 110053955) has the molecular formula C19H32IN3O2S and a molecular weight of 493.46 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide
PubChem CID110053955
Molecular FormulaC19H32IN3O2S
Molecular Weight493.46 g/mol
Exact Mass493.13
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide
SMILESCSC1CCC(N/C(=N/CC2CCCCO2)NCCc2ccco2)C1.I
InChIInChI=1S/C19H31N3O2S.HI/c1-25-18-8-7-15(13-18)22-19(20-10-9-16-6-4-12-23-16)21-14-17-5-2-3-11-24-17;/h4,6,12,15,17-18H,2-3,5,7-11,13-14H2,1H3,(H2,20,21,22);1H
InChIKeyWZMOPDRXTRLYRQ-UHFFFAOYSA-N
XLogP3.83
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide 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-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 111842135
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(4-propan-2-yloxycyclohexyl)guanidine;hydroiodide
CID 110060761
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 110053534
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(thian-3-yl)guanidine;hydroiodide
CID 110056783
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine
CID 110058262
1-[2-(furan-2-yl)ethyl]-3-(oxan-2-ylmethyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111651671
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-prop-2-enylguanidine;hydroiodide
CID 111355047
1-(1-butylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 110055313
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(2-phenylethyl)guanidine;hydroiodide
CID 111751463
1-[2-(furan-2-yl)ethyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 110056021
1-[2-(furan-2-yl)ethyl]-3-(6-hydroxyhexyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 110050991
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]guanidine;hydroiodide
CID 110056629

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide (CID 110053955) is 1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide is CSC1CCC(N/C(=N/CC2CCCCO2)NCCc2ccco2)C1.I.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is WZMOPDRXTRLYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S.HI/c1-25-18-8-7-15(13-18)22-19(20-10-9-16-6-4-12-23-16)21-14-17-5-2-3-11-24-17;/h4,6,12,15,17-18H,2-3,5,7-11,13-14H2,1H3,(H2,20,21,22);1H.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide?
1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 493.46 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110053955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).