2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine

C19H34N4O3S2 — CID 109384228

IUPAC2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CCc1ccc(S(=O)(=O)N(CC)CC)s1)N(C)CC1CCOC1
InChIInChI=1S/C19H34N4O3S2/c1-5-20-19(22(4)14-16-11-13-26-15-16)21-12-10-17-8-9-18(27-17)28(24,25)23(6-2)7-3/h8-9,16H,5-7,10-15H2,1-4H3,(H,20,21)
InChIKeyNRDVEQDHENGWBO-UHFFFAOYSA-N
MW430.64 g/mol
LogP2.25
Rot. Bonds10

About 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine

2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109384228) has the molecular formula C19H34N4O3S2 and a molecular weight of 430.64 g/mol. Its IUPAC name is 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109384228
Molecular FormulaC19H34N4O3S2
Molecular Weight430.64 g/mol
Exact Mass430.21
IUPAC Name2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CCc1ccc(S(=O)(=O)N(CC)CC)s1)N(C)CC1CCOC1
InChIInChI=1S/C19H34N4O3S2/c1-5-20-19(22(4)14-16-11-13-26-15-16)21-12-10-17-8-9-18(27-17)28(24,25)23(6-2)7-3/h8-9,16H,5-7,10-15H2,1-4H3,(H,20,21)
InChIKeyNRDVEQDHENGWBO-UHFFFAOYSA-N
XLogP2.25
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclopropyl-2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethylguanidine
CID 110989219
3-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382670
N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 51097870
3-ethyl-1-methyl-2-(3-methylsulfonylpropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 109382726
3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382158
2-(3-benzylsulfonylpropyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383513
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 109382020
3-ethyl-2-[2-(3-fluorophenyl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382760
2-(2-tert-butylsulfonylethyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109384867
2-butyl-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383682
3-ethyl-2-[2-(3-fluorophenyl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382759
2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109385524

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine (CID 109384228) is 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine is CCN/C(=N\CCc1ccc(S(=O)(=O)N(CC)CC)s1)N(C)CC1CCOC1.
What is the InChIKey of 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is NRDVEQDHENGWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3S2/c1-5-20-19(22(4)14-16-11-13-26-15-16)21-12-10-17-8-9-18(27-17)28(24,25)23(6-2)7-3/h8-9,16H,5-7,10-15H2,1-4H3,(H,20,21).
What are the key properties of 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 430.64 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109384228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).