1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide

C14H25IN4O2S2 — CID 111676697

IUPAC1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Sc1ccccc1)NCCS(N)(=O)=O.I
InChIInChI=1S/C14H24N4O2S2.HI/c1-3-16-14(17-9-10-22(15,19)20)18-11-12(2)21-13-7-5-4-6-8-13;/h4-8,12H,3,9-11H2,1-2H3,(H2,15,19,20)(H2,16,17,18);1H
InChIKeyHVPWUNLOCCHFDQ-UHFFFAOYSA-N
MW472.42 g/mol
LogP1.63
Rot. Bonds8

About 1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide

1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide (PubChem CID 111676697) has the molecular formula C14H25IN4O2S2 and a molecular weight of 472.42 g/mol. Its IUPAC name is 1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
PubChem CID111676697
Molecular FormulaC14H25IN4O2S2
Molecular Weight472.42 g/mol
Exact Mass472.05
IUPAC Name1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Sc1ccccc1)NCCS(N)(=O)=O.I
InChIInChI=1S/C14H24N4O2S2.HI/c1-3-16-14(17-9-10-22(15,19)20)18-11-12(2)21-13-7-5-4-6-8-13;/h4-8,12H,3,9-11H2,1-2H3,(H2,15,19,20)(H2,16,17,18);1H
InChIKeyHVPWUNLOCCHFDQ-UHFFFAOYSA-N
XLogP1.63
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 51.63
H-Bond Donors ≤ 53
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-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)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-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111987659
1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111677157
1-ethyl-2-(2-phenylsulfanylpropyl)-3-propylguanidine
CID 111496122
N-[2-[[N-ethyl-N'-(2-phenylsulfanylpropyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111677179
2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111011334
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111677315
2-benzyl-1-ethyl-3-(2-sulfamoylethyl)guanidine
CID 110954988
1-cyclopropyl-3-ethyl-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111495561
1-ethyl-2-[2-(2-methylphenoxy)propyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111686291
2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine
CID 111233859
N-cyclopropyl-4-[[N-ethyl-N'-(2-phenylsulfanylpropyl)carbamimidoyl]amino]butanamide
CID 111677534
1-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-3-ethyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111982753

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide (CID 111676697) is 1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide is CCN/C(=N\CC(C)Sc1ccccc1)NCCS(N)(=O)=O.I.
What is the InChIKey of 1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The InChIKey is HVPWUNLOCCHFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S2.HI/c1-3-16-14(17-9-10-22(15,19)20)18-11-12(2)21-13-7-5-4-6-8-13;/h4-8,12H,3,9-11H2,1-2H3,(H2,15,19,20)(H2,16,17,18);1H.
What are the key properties of 1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide?
1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide has a molecular weight of 472.42 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111676697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).