1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine

C15H24BrN3O2S — CID 111761911

IUPAC1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN3O2S/c1-4-17-15(19-11-12(2)3)18-9-10-22(20,21)14-7-5-13(16)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H2,17,18,19)
InChIKeyXPJZTXOCKCZELF-UHFFFAOYSA-N
MW390.35 g/mol
LogP2.43
Rot. Bonds7

About 1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine

1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine (PubChem CID 111761911) has the molecular formula C15H24BrN3O2S and a molecular weight of 390.35 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine
PubChem CID111761911
Molecular FormulaC15H24BrN3O2S
Molecular Weight390.35 g/mol
Exact Mass389.08
IUPAC Name1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN3O2S/c1-4-17-15(19-11-12(2)3)18-9-10-22(20,21)14-7-5-13(16)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H2,17,18,19)
InChIKeyXPJZTXOCKCZELF-UHFFFAOYSA-N
XLogP2.43
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[2-(4-bromophenyl)sulfonylethyl]-1,3-diethylguanidine
CID 111117605
2-[2-(4-bromophenyl)sulfonylethyl]-1,3-diethylguanidine;hydroiodide
CID 111117604
1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine
CID 111178742
1-ethyl-2-(2-methylpropyl)-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111178595
1-[2-(benzenesulfonyl)ethyl]-3-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine;hydroiodide
CID 111715760
1-[3-(benzenesulfonyl)propyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111342448
1-[2-(4-bromophenyl)sulfonylethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111763793
1-[2-(benzenesulfonyl)ethyl]-3-ethyl-2-[2-(3-methylphenoxy)propyl]guanidine
CID 111686154
1-[2-(benzenesulfonyl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111065089
N-(5-bromo-2-methylphenyl)-3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111178327
1-benzyl-3-[2-(4-bromophenyl)sulfonylethyl]-2-methylguanidine
CID 111758626
1-[2-(4-bromophenyl)sulfonylethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 111759282

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine (CID 111761911) is 1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine is CCN/C(=N\CC(C)C)NCCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine?
The InChIKey is XPJZTXOCKCZELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O2S/c1-4-17-15(19-11-12(2)3)18-9-10-22(20,21)14-7-5-13(16)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine?
1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine has a molecular weight of 390.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 111761911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).