1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine

C11H25N3O2S — CID 111178742

IUPAC1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCCS(=O)(=O)CC
InChIInChI=1S/C11H25N3O2S/c1-5-12-11(14-9-10(3)4)13-7-8-17(15,16)6-2/h10H,5-9H2,1-4H3,(H2,12,13,14)
InChIKeyARVZNSVKSMMNSS-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.63
Rot. Bonds7

About 1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine

1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine (PubChem CID 111178742) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine
PubChem CID111178742
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCCS(=O)(=O)CC
InChIInChI=1S/C11H25N3O2S/c1-5-12-11(14-9-10(3)4)13-7-8-17(15,16)6-2/h10H,5-9H2,1-4H3,(H2,12,13,14)
InChIKeyARVZNSVKSMMNSS-UHFFFAOYSA-N
XLogP0.63
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.63
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

1-ethyl-2-(2-methylpropyl)-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111178595
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111179938
1-[2-(4-bromophenyl)sulfonylethyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 111761911
1-ethyl-2-(2-methylpropyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111833200
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180508
1-ethyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-methylpropyl)guanidine
CID 111180349
methyl 3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]propanoate
CID 111178828
1-ethyl-3-(2-ethylsulfonylethyl)-2-[2-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111680005
1-[2-(diethylamino)ethyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180876
N-butan-2-yl-3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 111179527
propan-2-yl 3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111178889
1-(2-tert-butylsulfonylethyl)-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 111573962

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine (CID 111178742) is 1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine is CCN/C(=N\CC(C)C)NCCS(=O)(=O)CC.
What is the InChIKey of 1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine?
The InChIKey is ARVZNSVKSMMNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-5-12-11(14-9-10(3)4)13-7-8-17(15,16)6-2/h10H,5-9H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine?
1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine has a molecular weight of 263.41 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 111178742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).