1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide

C16H34IN5O2S — CID 111989884

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
SMILESCCN(CC)S(=O)(=O)CCN/C(=N\C)NC1CCN(C2CC2)CC1.I
InChIInChI=1S/C16H33N5O2S.HI/c1-4-21(5-2)24(22,23)13-10-18-16(17-3)19-14-8-11-20(12-9-14)15-6-7-15;/h14-15H,4-13H2,1-3H3,(H2,17,18,19);1H
InChIKeyDTGGZJOYLIRQLM-UHFFFAOYSA-N
MW487.45 g/mol
LogP1.07
Rot. Bonds8

About 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide

1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide (PubChem CID 111989884) has the molecular formula C16H34IN5O2S and a molecular weight of 487.45 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
PubChem CID111989884
Molecular FormulaC16H34IN5O2S
Molecular Weight487.45 g/mol
Exact Mass487.15
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
SMILESCCN(CC)S(=O)(=O)CCN/C(=N\C)NC1CCN(C2CC2)CC1.I
InChIInChI=1S/C16H33N5O2S.HI/c1-4-21(5-2)24(22,23)13-10-18-16(17-3)19-14-8-11-20(12-9-14)15-6-7-15;/h14-15H,4-13H2,1-3H3,(H2,17,18,19);1H
InChIKeyDTGGZJOYLIRQLM-UHFFFAOYSA-N
XLogP1.07
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.45
LogP ≤ 51.07
H-Bond Donors ≤ 52
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-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;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-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
CID 111989885
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111760237
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
CID 111993074
1-[2-(diethylsulfamoyl)ethyl]-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-methylguanidine
CID 111992571
1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine
CID 111996791
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111763366
1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclohexyl)-2-methylguanidine
CID 111997391
1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155057
1-(1-cyclopropylpiperidin-4-yl)-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 109393894
1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
CID 119153758
ethyl 4-[[N'-methyl-N-(2-methylsulfonylethyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328647
1-(1-cyclopentylpiperidin-4-yl)-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109394139

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide (CID 111989884) is 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide is CCN(CC)S(=O)(=O)CCN/C(=N\C)NC1CCN(C2CC2)CC1.I.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is DTGGZJOYLIRQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O2S.HI/c1-4-21(5-2)24(22,23)13-10-18-16(17-3)19-14-8-11-20(12-9-14)15-6-7-15;/h14-15H,4-13H2,1-3H3,(H2,17,18,19);1H.
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide?
1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 487.45 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111989884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).