1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine

C15H32N4O2S2 — CID 111996791

IUPAC1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine
SMILESCCSC1CCC(N/C(=N/C)NCCS(=O)(=O)N(CC)CC)C1
InChIInChI=1S/C15H32N4O2S2/c1-5-19(6-2)23(20,21)11-10-17-15(16-4)18-13-8-9-14(12-13)22-7-3/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyBIPXGCJMFUJOPB-UHFFFAOYSA-N
MW364.58 g/mol
LogP1.50
Rot. Bonds9

About 1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine

1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine (PubChem CID 111996791) has the molecular formula C15H32N4O2S2 and a molecular weight of 364.58 g/mol. Its IUPAC name is 1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine
PubChem CID111996791
Molecular FormulaC15H32N4O2S2
Molecular Weight364.58 g/mol
Exact Mass364.20
IUPAC Name1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine
SMILESCCSC1CCC(N/C(=N/C)NCCS(=O)(=O)N(CC)CC)C1
InChIInChI=1S/C15H32N4O2S2/c1-5-19(6-2)23(20,21)11-10-17-15(16-4)18-13-8-9-14(12-13)22-7-3/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyBIPXGCJMFUJOPB-UHFFFAOYSA-N
XLogP1.50
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 51.50
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-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclohexyl)-2-methylguanidine
CID 111997391
2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-methylsulfonylethyl)guanidine
CID 111528515
1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
CID 111989885
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
N-[2-[[N-(3-ethylsulfanylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111997755
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111763366
1-(3-ethylsulfanylcyclopentyl)-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109406376
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
CID 111993074
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
CID 111768061
N,N-dimethyl-3-[[N'-methyl-N-(3-methylsulfanylcyclopentyl)carbamimidoyl]amino]propanamide
CID 111529367
1-[2-(diethylsulfamoyl)ethyl]-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-methylguanidine
CID 111992571

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine?
The IUPAC name of 1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine (CID 111996791) is 1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine is CCSC1CCC(N/C(=N/C)NCCS(=O)(=O)N(CC)CC)C1.
What is the InChIKey of 1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine?
The InChIKey is BIPXGCJMFUJOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2S2/c1-5-19(6-2)23(20,21)11-10-17-15(16-4)18-13-8-9-14(12-13)22-7-3/h13-14H,5-12H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine?
1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine has a molecular weight of 364.58 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylsulfamoyl)ethyl]-3-(3-ethylsulfanylcyclopentyl)-2-methylguanidine is sourced from PubChem (CID 111996791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).