2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide

C17H32IN5O2S — CID 111011334

IUPAC2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccccc1)N(CC)CC)NCCS(N)(=O)=O.I
InChIInChI=1S/C17H31N5O2S.HI/c1-4-19-17(20-12-13-25(18,23)24)21-14-16(22(5-2)6-3)15-10-8-7-9-11-15;/h7-11,16H,4-6,12-14H2,1-3H3,(H2,18,23,24)(H2,19,20,21);1H
InChIKeyUPQZKPFUQIHKGI-UHFFFAOYSA-N
MW497.45 g/mol
LogP1.53
Rot. Bonds10

About 2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide

2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide (PubChem CID 111011334) has the molecular formula C17H32IN5O2S and a molecular weight of 497.45 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide
PubChem CID111011334
Molecular FormulaC17H32IN5O2S
Molecular Weight497.45 g/mol
Exact Mass497.13
IUPAC Name2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccccc1)N(CC)CC)NCCS(N)(=O)=O.I
InChIInChI=1S/C17H31N5O2S.HI/c1-4-19-17(20-12-13-25(18,23)24)21-14-16(22(5-2)6-3)15-10-8-7-9-11-15;/h7-11,16H,4-6,12-14H2,1-3H3,(H2,18,23,24)(H2,19,20,21);1H
InChIKeyUPQZKPFUQIHKGI-UHFFFAOYSA-N
XLogP1.53
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.45
LogP ≤ 51.53
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'}

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Related Compounds

2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111011066
2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-[2-(2-methylsulfonylethoxy)ethyl]guanidine
CID 111510095
N-[2-[[N'-[2-(diethylamino)-2-phenylethyl]-N-ethylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111011003
2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine
CID 111233859
2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide
CID 110924919
1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111676697
2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine
CID 55064143
2-benzyl-1-ethyl-3-(2-sulfamoylethyl)guanidine
CID 110954988
N-cyclopropyl-4-[[N'-[2-(diethylamino)-2-phenylethyl]-N-ethylcarbamimidoyl]amino]butanamide;hydroiodide
CID 111011060
N-[2-[[N'-[2-(diethylamino)-2-phenylethyl]-N-ethylcarbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
CID 111011162
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 111011337
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472412

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide (CID 111011334) is 2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide is CCN/C(=N\CC(c1ccccc1)N(CC)CC)NCCS(N)(=O)=O.I.
What is the InChIKey of 2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide?
The InChIKey is UPQZKPFUQIHKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2S.HI/c1-4-19-17(20-12-13-25(18,23)24)21-14-16(22(5-2)6-3)15-10-8-7-9-11-15;/h7-11,16H,4-6,12-14H2,1-3H3,(H2,18,23,24)(H2,19,20,21);1H.
What are the key properties of 2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide?
2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide has a molecular weight of 497.45 g/mol, XLogP of 1.53, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111011334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).