1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine

C10H23N3O3S — CID 110941656

IUPAC1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine
SMILESCCN/C(=N\CCCS(C)(=O)=O)NCCOC
InChIInChI=1S/C10H23N3O3S/c1-4-11-10(13-7-8-16-2)12-6-5-9-17(3,14)15/h4-9H2,1-3H3,(H2,11,12,13)
InChIKeyNIAZZVLOIDOMSO-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.38
Rot. Bonds8

About 1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine

1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine (PubChem CID 110941656) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine
PubChem CID110941656
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine
SMILESCCN/C(=N\CCCS(C)(=O)=O)NCCOC
InChIInChI=1S/C10H23N3O3S/c1-4-11-10(13-7-8-16-2)12-6-5-9-17(3,14)15/h4-9H2,1-3H3,(H2,11,12,13)
InChIKeyNIAZZVLOIDOMSO-UHFFFAOYSA-N
XLogP-0.38
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-butoxypropyl)-3-ethyl-2-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111239802
1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
1-ethyl-2-(3-methylsulfonylpropyl)-3-nonylguanidine;hydroiodide
CID 111385972
1-(2-cycloheptyloxyethyl)-3-ethyl-2-(3-methylsulfonylpropyl)guanidine
CID 111575637
1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 110976812
1-ethyl-3-(3-methylbutyl)-2-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 110978688
1-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941605
1-ethyl-3-[2-(2-methylsulfonylethoxy)ethyl]-2-nonylguanidine;hydroiodide
CID 111518762
2-(3-benzylsulfonylpropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941561
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110974594
2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940605
1-ethyl-3-[2-(ethylsulfonylamino)ethyl]-2-(3-methoxypropyl)guanidine
CID 110974537

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine (CID 110941656) is 1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine is CCN/C(=N\CCCS(C)(=O)=O)NCCOC.
What is the InChIKey of 1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine?
The InChIKey is NIAZZVLOIDOMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-4-11-10(13-7-8-16-2)12-6-5-9-17(3,14)15/h4-9H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine?
1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine has a molecular weight of 265.38 g/mol, XLogP of -0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyethyl)-2-(3-methylsulfonylpropyl)guanidine is sourced from PubChem (CID 110941656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).