1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide

C19H35IN6O2S — CID 111993074

IUPAC1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
SMILESCCN(CC)S(=O)(=O)CCN/C(=N\C)NC1CCN(c2ccc(C)cn2)CC1.I
InChIInChI=1S/C19H34N6O2S.HI/c1-5-25(6-2)28(26,27)14-11-21-19(20-4)23-17-9-12-24(13-10-17)18-8-7-16(3)15-22-18;/h7-8,15,17H,5-6,9-14H2,1-4H3,(H2,20,21,23);1H
InChIKeyRAJVCQOYJHZRJI-UHFFFAOYSA-N
MW538.50 g/mol
LogP1.81
Rot. Bonds8

About 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide

1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide (PubChem CID 111993074) has the molecular formula C19H35IN6O2S and a molecular weight of 538.50 g/mol. Its IUPAC name is 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
PubChem CID111993074
Molecular FormulaC19H35IN6O2S
Molecular Weight538.50 g/mol
Exact Mass538.16
IUPAC Name1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
SMILESCCN(CC)S(=O)(=O)CCN/C(=N\C)NC1CCN(c2ccc(C)cn2)CC1.I
InChIInChI=1S/C19H34N6O2S.HI/c1-5-25(6-2)28(26,27)14-11-21-19(20-4)23-17-9-12-24(13-10-17)18-8-7-16(3)15-22-18;/h7-8,15,17H,5-6,9-14H2,1-4H3,(H2,20,21,23);1H
InChIKeyRAJVCQOYJHZRJI-UHFFFAOYSA-N
XLogP1.81
TPSA89.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.50
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethylbutyl)-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
CID 111994382
1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
CID 111989884
1-[2-(diethylsulfamoyl)ethyl]-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-methylguanidine
CID 111992571
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
N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111993158
N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111994685
1-cyclopentyl-2-methyl-3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]guanidine;hydroiodide
CID 110990770
2,5-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899602
1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclohexyl)-2-methylguanidine
CID 111997391
N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111994679
3-[[N'-methyl-N-(1-propylpiperidin-4-yl)carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111018352

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide?
The IUPAC name of 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide (CID 111993074) is 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide?
The canonical SMILES for 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide is CCN(CC)S(=O)(=O)CCN/C(=N\C)NC1CCN(c2ccc(C)cn2)CC1.I.
What is the InChIKey of 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide?
The InChIKey is RAJVCQOYJHZRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O2S.HI/c1-5-25(6-2)28(26,27)14-11-21-19(20-4)23-17-9-12-24(13-10-17)18-8-7-16(3)15-22-18;/h7-8,15,17H,5-6,9-14H2,1-4H3,(H2,20,21,23);1H.
What are the key properties of 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide?
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide has a molecular weight of 538.50 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide is sourced from PubChem (CID 111993074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).