2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine

C18H39N5O2S — CID 111989953

IUPAC2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C18H39N5O2S/c1-6-19-18(20-11-14-26(24,25)23(7-2)8-3)21-17-9-12-22(13-10-17)15-16(4)5/h16-17H,6-15H2,1-5H3,(H2,19,20,21)
InChIKeyDOLVXBQOTLMNMO-UHFFFAOYSA-N
MW389.61 g/mol
LogP1.33
Rot. Bonds10

About 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine

2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine (PubChem CID 111989953) has the molecular formula C18H39N5O2S and a molecular weight of 389.61 g/mol. Its IUPAC name is 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine.

Molecular Properties

Compound Name2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine
PubChem CID111989953
Molecular FormulaC18H39N5O2S
Molecular Weight389.61 g/mol
Exact Mass389.28
IUPAC Name2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C18H39N5O2S/c1-6-19-18(20-11-14-26(24,25)23(7-2)8-3)21-17-9-12-22(13-10-17)15-16(4)5/h16-17H,6-15H2,1-5H3,(H2,19,20,21)
InChIKeyDOLVXBQOTLMNMO-UHFFFAOYSA-N
XLogP1.33
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.61
LogP ≤ 51.33
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-cyclopentyl-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
CID 111759533
1-(1-benzylpiperidin-4-yl)-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111548912
2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]guanidine;hydroiodide
CID 111990432
2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(3-methylcyclohexyl)guanidine
CID 111990657
1-ethyl-2-(2-ethylsulfonylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318278
1-ethyl-2-(2-methylsulfonylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316870
1-ethyl-2-(3-methylbutyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111018419
N-[2-[[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111992910
1-ethyl-2-(2-ethylsulfonylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915409
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111760237
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111190416
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 110987534

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine?
The IUPAC name of 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine (CID 111989953) is 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine.
What is the SMILES notation for 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine?
The canonical SMILES for 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine is CCN/C(=N\CCS(=O)(=O)N(CC)CC)NC1CCN(CC(C)C)CC1.
What is the InChIKey of 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine?
The InChIKey is DOLVXBQOTLMNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N5O2S/c1-6-19-18(20-11-14-26(24,25)23(7-2)8-3)21-17-9-12-22(13-10-17)15-16(4)5/h16-17H,6-15H2,1-5H3,(H2,19,20,21).
What are the key properties of 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine?
2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine has a molecular weight of 389.61 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine is sourced from PubChem (CID 111989953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).