N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide

C19H35IN4O2S2 — CID 111740117

IUPACN'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccc(S(=O)(=O)N(CC)CC)s1)N1CCC(C)(C)C1.I
InChIInChI=1S/C19H34N4O2S2.HI/c1-6-20-18(22-14-12-19(4,5)15-22)21-13-11-16-9-10-17(26-16)27(24,25)23(7-2)8-3;/h9-10H,6-8,11-15H2,1-5H3,(H,20,21);1H
InChIKeyTVTRLOIPMBDRRX-UHFFFAOYSA-N
MW542.55 g/mol
LogP3.64
Rot. Bonds8

About N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide

N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111740117) has the molecular formula C19H35IN4O2S2 and a molecular weight of 542.55 g/mol. Its IUPAC name is N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111740117
Molecular FormulaC19H35IN4O2S2
Molecular Weight542.55 g/mol
Exact Mass542.12
IUPAC NameN'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccc(S(=O)(=O)N(CC)CC)s1)N1CCC(C)(C)C1.I
InChIInChI=1S/C19H34N4O2S2.HI/c1-6-20-18(22-14-12-19(4,5)15-22)21-13-11-16-9-10-17(26-16)27(24,25)23(7-2)8-3;/h9-10H,6-8,11-15H2,1-5H3,(H,20,21);1H
InChIKeyTVTRLOIPMBDRRX-UHFFFAOYSA-N
XLogP3.64
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
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

N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740118
4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110963755
1-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine
CID 110989219
N-[4-[2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111740421
N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740404
N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740428
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114598
methyl 3-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]propanoate;hydroiodide
CID 111739881
N-ethyl-3,3-dimethyl-N'-(2-sulfamoylethyl)pyrrolidine-1-carboximidamide
CID 111740084
N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211375
N-ethyl-3,3-dimethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111739927
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130815

Frequently Asked Questions

What is the IUPAC name of N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide (CID 111740117) is N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1ccc(S(=O)(=O)N(CC)CC)s1)N1CCC(C)(C)C1.I.
What is the InChIKey of N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is TVTRLOIPMBDRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2S2.HI/c1-6-20-18(22-14-12-19(4,5)15-22)21-13-11-16-9-10-17(26-16)27(24,25)23(7-2)8-3;/h9-10H,6-8,11-15H2,1-5H3,(H,20,21);1H.
What are the key properties of N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide?
N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 542.55 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111740117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).