2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide

C15H25IN4O2S — CID 110988397

IUPAC2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)NCc1ccccc1)NC1CC1.I
InChIInChI=1S/C15H24N4O2S.HI/c1-2-16-15(19-14-8-9-14)17-10-11-22(20,21)18-12-13-6-4-3-5-7-13;/h3-7,14,18H,2,8-12H2,1H3,(H2,16,17,19);1H
InChIKeyNUMHFVFCOTWXIM-UHFFFAOYSA-N
MW452.36 g/mol
LogP1.44
Rot. Bonds8

About 2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide

2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide (PubChem CID 110988397) has the molecular formula C15H25IN4O2S and a molecular weight of 452.36 g/mol. Its IUPAC name is 2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
PubChem CID110988397
Molecular FormulaC15H25IN4O2S
Molecular Weight452.36 g/mol
Exact Mass452.07
IUPAC Name2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)NCc1ccccc1)NC1CC1.I
InChIInChI=1S/C15H24N4O2S.HI/c1-2-16-15(19-14-8-9-14)17-10-11-22(20,21)18-12-13-6-4-3-5-7-13;/h3-7,14,18H,2,8-12H2,1H3,(H2,16,17,19);1H
InChIKeyNUMHFVFCOTWXIM-UHFFFAOYSA-N
XLogP1.44
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-[2-(benzylsulfamoyl)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256860
N'-[2-(benzylsulfamoyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955715
2-[2-(benzylsulfamoyl)ethyl]-1-[2-(2-chlorophenyl)ethyl]-3-ethylguanidine
CID 111882411
1-(1-benzylpiperidin-4-yl)-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111548912
2-[2-(benzylsulfamoyl)ethyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111208497
1-[2-(benzylsulfamoyl)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111256861
1-[2-(benzylsulfamoyl)ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide
CID 110957739
N'-[2-(benzylsulfamoyl)ethyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442287
2-[2-(benzylsulfamoyl)ethyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349314
N'-[2-(benzylsulfamoyl)ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426149
1-[2-(benzylsulfamoyl)ethyl]-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine
CID 111415415
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 110988293

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide (CID 110988397) is 2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide is CCN/C(=N\CCS(=O)(=O)NCc1ccccc1)NC1CC1.I.
What is the InChIKey of 2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide?
The InChIKey is NUMHFVFCOTWXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.HI/c1-2-16-15(19-14-8-9-14)17-10-11-22(20,21)18-12-13-6-4-3-5-7-13;/h3-7,14,18H,2,8-12H2,1H3,(H2,16,17,19);1H.
What are the key properties of 2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide?
2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide has a molecular weight of 452.36 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 110988397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).