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

C18H32N4O2S2 — CID 111144326

IUPACN-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCN/C(=N\C)N2CCCC(C)C2)s1
InChIInChI=1S/C18H32N4O2S2/c1-5-22(6-2)26(23,24)17-10-9-16(25-17)11-12-20-18(19-4)21-13-7-8-15(3)14-21/h9-10,15H,5-8,11-14H2,1-4H3,(H,19,20)
InChIKeyRIRPNRJHODULRU-UHFFFAOYSA-N
MW400.61 g/mol
LogP2.63
Rot. Bonds7

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

N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide (PubChem CID 111144326) has the molecular formula C18H32N4O2S2 and a molecular weight of 400.61 g/mol. Its IUPAC name is N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide
PubChem CID111144326
Molecular FormulaC18H32N4O2S2
Molecular Weight400.61 g/mol
Exact Mass400.20
IUPAC NameN-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCN/C(=N\C)N2CCCC(C)C2)s1
InChIInChI=1S/C18H32N4O2S2/c1-5-22(6-2)26(23,24)17-10-9-16(25-17)11-12-20-18(19-4)21-13-7-8-15(3)14-21/h9-10,15H,5-8,11-14H2,1-4H3,(H,19,20)
InChIKeyRIRPNRJHODULRU-UHFFFAOYSA-N
XLogP2.63
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 52.63
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'}

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Related Compounds

N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211375
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114598
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130815
N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111979734
N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984951
N',3-dimethyl-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide
CID 111145532
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019504
1-butyl-3-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylguanidine;hydroiodide
CID 111150137
N-[(5-ethylthiophen-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144482
4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110963755
1-benzyl-3-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylguanidine;hydroiodide
CID 110954511
1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119319144

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide (CID 111144326) is N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide is CCN(CC)S(=O)(=O)c1ccc(CCN/C(=N\C)N2CCCC(C)C2)s1.
What is the InChIKey of N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide?
The InChIKey is RIRPNRJHODULRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2S2/c1-5-22(6-2)26(23,24)17-10-9-16(25-17)11-12-20-18(19-4)21-13-7-8-15(3)14-21/h9-10,15H,5-8,11-14H2,1-4H3,(H,19,20).
What are the key properties of N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide?
N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',3-dimethylpiperidine-1-carboximidamide has a molecular weight of 400.61 g/mol, XLogP of 2.63, 7 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',3-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111144326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).