1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine

C19H31N5OS — CID 111528843

IUPAC1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccnc1N1CCOCC1)NC1CCC(SC)C1
InChIInChI=1S/C19H31N5OS/c1-3-20-19(23-16-6-7-17(13-16)26-2)22-14-15-5-4-8-21-18(15)24-9-11-25-12-10-24/h4-5,8,16-17H,3,6-7,9-14H2,1-2H3,(H2,20,22,23)
InChIKeyBJEWJWCWKMRVGD-UHFFFAOYSA-N
MW377.56 g/mol
LogP2.26
Rot. Bonds6

About 1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine

1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine (PubChem CID 111528843) has the molecular formula C19H31N5OS and a molecular weight of 377.56 g/mol. Its IUPAC name is 1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
PubChem CID111528843
Molecular FormulaC19H31N5OS
Molecular Weight377.56 g/mol
Exact Mass377.22
IUPAC Name1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccnc1N1CCOCC1)NC1CCC(SC)C1
InChIInChI=1S/C19H31N5OS/c1-3-20-19(23-16-6-7-17(13-16)26-2)22-14-15-5-4-8-21-18(15)24-9-11-25-12-10-24/h4-5,8,16-17H,3,6-7,9-14H2,1-2H3,(H2,20,22,23)
InChIKeyBJEWJWCWKMRVGD-UHFFFAOYSA-N
XLogP2.26
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]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-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318386
1-(3-ethoxypropyl)-3-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111224089
1-(2,2-diphenylethyl)-3-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111357122
1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473799
1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473798
1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111387474
1-[3-[[[(cyclopentylamino)-(ethylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 110992164
1-ethyl-3-(3-methoxypropyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110973248
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111531885
N-ethyl-4-methyl-N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111211434
1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111851311
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-ethyl-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111985312

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine (CID 111528843) is 1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1cccnc1N1CCOCC1)NC1CCC(SC)C1.
What is the InChIKey of 1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The InChIKey is BJEWJWCWKMRVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5OS/c1-3-20-19(23-16-6-7-17(13-16)26-2)22-14-15-5-4-8-21-18(15)24-9-11-25-12-10-24/h4-5,8,16-17H,3,6-7,9-14H2,1-2H3,(H2,20,22,23).
What are the key properties of 1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine has a molecular weight of 377.56 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111528843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).