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

C16H33N5O2S — CID 111989885

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
SMILESCCN(CC)S(=O)(=O)CCN/C(=N\C)NC1CCN(C2CC2)CC1
InChIInChI=1S/C16H33N5O2S/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)
InChIKeyRXUIBPNLDXUSPV-UHFFFAOYSA-N
MW359.54 g/mol
LogP0.45
Rot. Bonds8

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

1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine (PubChem CID 111989885) has the molecular formula C16H33N5O2S and a molecular weight of 359.54 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
PubChem CID111989885
Molecular FormulaC16H33N5O2S
Molecular Weight359.54 g/mol
Exact Mass359.24
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
SMILESCCN(CC)S(=O)(=O)CCN/C(=N\C)NC1CCN(C2CC2)CC1
InChIInChI=1S/C16H33N5O2S/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)
InChIKeyRXUIBPNLDXUSPV-UHFFFAOYSA-N
XLogP0.45
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 50.45
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'}

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Related Compounds

1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
CID 111989884
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111760237
1-[2-(diethylsulfamoyl)ethyl]-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-methylguanidine
CID 111992571
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
CID 111993074
1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine
CID 111996791
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-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111763366
1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
CID 119153758
N-[2-[[N-(1-cyclohexylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111998479
1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine
CID 110959303

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine (CID 111989885) is 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine is CCN(CC)S(=O)(=O)CCN/C(=N\C)NC1CCN(C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine?
The InChIKey is RXUIBPNLDXUSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O2S/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).
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine?
1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine has a molecular weight of 359.54 g/mol, XLogP of 0.45, 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 is sourced from PubChem (CID 111989885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).