1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine

C15H27N5O3S2 — CID 111284759

IUPAC1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine
SMILESCCN/C(=N\CC(c1cccs1)N1CCOCC1)NCCS(N)(=O)=O
InChIInChI=1S/C15H27N5O3S2/c1-2-17-15(18-5-11-25(16,21)22)19-12-13(14-4-3-10-24-14)20-6-8-23-9-7-20/h3-4,10,13H,2,5-9,11-12H2,1H3,(H2,16,21,22)(H2,17,18,19)
InChIKeyWOTXCNSYCSROLX-UHFFFAOYSA-N
MW389.55 g/mol
LogP-0.04
Rot. Bonds8

About 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine

1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine (PubChem CID 111284759) has the molecular formula C15H27N5O3S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine
PubChem CID111284759
Molecular FormulaC15H27N5O3S2
Molecular Weight389.55 g/mol
Exact Mass389.16
IUPAC Name1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine
SMILESCCN/C(=N\CC(c1cccs1)N1CCOCC1)NCCS(N)(=O)=O
InChIInChI=1S/C15H27N5O3S2/c1-2-17-15(18-5-11-25(16,21)22)19-12-13(14-4-3-10-24-14)20-6-8-23-9-7-20/h3-4,10,13H,2,5-9,11-12H2,1H3,(H2,16,21,22)(H2,17,18,19)
InChIKeyWOTXCNSYCSROLX-UHFFFAOYSA-N
XLogP-0.04
TPSA109.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111246993
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283719
methyl 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111284666
1-[2-(2,6-difluorophenyl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283481
3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111284392
1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111284517
3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111284436
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284536
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283627
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111228851
1-ethyl-3-(2-morpholin-4-ylethyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111012147
1-(4-ethoxybutyl)-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283697

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine (CID 111284759) is 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine is CCN/C(=N\CC(c1cccs1)N1CCOCC1)NCCS(N)(=O)=O.
What is the InChIKey of 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine?
The InChIKey is WOTXCNSYCSROLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S2/c1-2-17-15(18-5-11-25(16,21)22)19-12-13(14-4-3-10-24-14)20-6-8-23-9-7-20/h3-4,10,13H,2,5-9,11-12H2,1H3,(H2,16,21,22)(H2,17,18,19).
What are the key properties of 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine?
1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine has a molecular weight of 389.55 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine is sourced from PubChem (CID 111284759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).