1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine

C10H23N3O3S — CID 111123490

IUPAC1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine
SMILESCOCC/N=C(\N)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H23N3O3S/c1-10(2,3)17(14,15)8-6-13-9(11)12-5-7-16-4/h5-8H2,1-4H3,(H3,11,12,13)
InChIKeyPJYBLABTSVXUKV-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.25
Rot. Bonds6

About 1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine

1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine (PubChem CID 111123490) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine
PubChem CID111123490
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine
SMILESCOCC/N=C(\N)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H23N3O3S/c1-10(2,3)17(14,15)8-6-13-9(11)12-5-7-16-4/h5-8H2,1-4H3,(H3,11,12,13)
InChIKeyPJYBLABTSVXUKV-UHFFFAOYSA-N
XLogP-0.25
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.25
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'}

Analyze 1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-1-(2-tert-butylsulfonylethyl)guanidine;hydroiodide
CID 111573966
1-(2-tert-butylsulfinylethyl)-2-(2-methoxyethyl)guanidine
CID 111424463
2-(2-tert-butylsulfonylethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111812151
N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110913777
2-(2-tert-butylsulfonylethyl)-1-prop-2-enylguanidine
CID 136703895
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
2-(2-tert-butylsulfonylethyl)-1-prop-2-enylguanidine;hydroiodide
CID 136703894
1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine
CID 106341206
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110918358
1-hydroxy-2-(2-methoxyethyl)guanidine
CID 62482674
2-(3-butoxypropyl)-1-(2-tert-butylsulfonylethyl)-3-ethylguanidine;hydroiodide
CID 111573470
2-tert-butylsulfonylethylcarbamic acid
CID 87536259

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine (CID 111123490) is 1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine is COCC/N=C(\N)NCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine?
The InChIKey is PJYBLABTSVXUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-10(2,3)17(14,15)8-6-13-9(11)12-5-7-16-4/h5-8H2,1-4H3,(H3,11,12,13).
What are the key properties of 1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine?
1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine has a molecular weight of 265.38 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 111123490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).