1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine

C19H32N4O2S — CID 110058914

IUPAC1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine
SMILESc1coc(CCN/C(=N\CC2CCCS2)NCCCN2CCOCC2)c1
InChIInChI=1S/C19H32N4O2S/c1-4-17(25-12-1)6-8-21-19(22-16-18-5-2-15-26-18)20-7-3-9-23-10-13-24-14-11-23/h1,4,12,18H,2-3,5-11,13-16H2,(H2,20,21,22)
InChIKeyJCBMBCGVTDUSDR-UHFFFAOYSA-N
MW380.56 g/mol
LogP1.98
Rot. Bonds9

About 1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine

1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine (PubChem CID 110058914) has the molecular formula C19H32N4O2S and a molecular weight of 380.56 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine
PubChem CID110058914
Molecular FormulaC19H32N4O2S
Molecular Weight380.56 g/mol
Exact Mass380.22
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine
SMILESc1coc(CCN/C(=N\CC2CCCS2)NCCCN2CCOCC2)c1
InChIInChI=1S/C19H32N4O2S/c1-4-17(25-12-1)6-8-21-19(22-16-18-5-2-15-26-18)20-7-3-9-23-10-13-24-14-11-23/h1,4,12,18H,2-3,5-11,13-16H2,(H2,20,21,22)
InChIKeyJCBMBCGVTDUSDR-UHFFFAOYSA-N
XLogP1.98
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)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-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110938477
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-propylguanidine
CID 111226057
1-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)-3-(thian-3-yl)guanidine;hydroiodide
CID 110056775
2-[(4-bromophenyl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 111547815
2-[(1-cyclopentylpyrazol-3-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110050863
1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110975840
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111355359
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-[3-(2-oxoazepan-1-yl)propyl]guanidine;hydroiodide
CID 111348543
1-[2-(furan-2-yl)ethyl]-3-(1-phenylethyl)-2-(thiolan-2-ylmethyl)guanidine;hydroiodide
CID 110058907
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide
CID 110051819
1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine
CID 110052376
2-(1,3-benzodioxol-5-ylmethyl)-1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 111353328

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine (CID 110058914) is 1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine is c1coc(CCN/C(=N\CC2CCCS2)NCCCN2CCOCC2)c1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine?
The InChIKey is JCBMBCGVTDUSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2S/c1-4-17(25-12-1)6-8-21-19(22-16-18-5-2-15-26-18)20-7-3-9-23-10-13-24-14-11-23/h1,4,12,18H,2-3,5-11,13-16H2,(H2,20,21,22).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine?
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine has a molecular weight of 380.56 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-(thiolan-2-ylmethyl)guanidine is sourced from PubChem (CID 110058914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).