1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine

C7H19N5O3S — CID 106341206

IUPAC1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine
SMILESCNS(=O)(=O)CCN/C(=N/CCOC)NN
InChIInChI=1S/C7H19N5O3S/c1-9-16(13,14)6-4-11-7(12-8)10-3-5-15-2/h9H,3-6,8H2,1-2H3,(H2,10,11,12)
InChIKeySNLCLZFAVNBTKT-UHFFFAOYSA-N
MW253.33 g/mol
LogP-2.41
Rot. Bonds7

About 1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine

1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine (PubChem CID 106341206) has the molecular formula C7H19N5O3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine
PubChem CID106341206
Molecular FormulaC7H19N5O3S
Molecular Weight253.33 g/mol
Exact Mass253.12
IUPAC Name1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine
SMILESCNS(=O)(=O)CCN/C(=N/CCOC)NN
InChIInChI=1S/C7H19N5O3S/c1-9-16(13,14)6-4-11-7(12-8)10-3-5-15-2/h9H,3-6,8H2,1-2H3,(H2,10,11,12)
InChIKeySNLCLZFAVNBTKT-UHFFFAOYSA-N
XLogP-2.41
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-2.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide
CID 104883842
1-amino-3-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 116511082
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-ethyl-2-(2-methoxyethyl)guanidine
CID 111779063
1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine
CID 104885989
1-ethyl-2-(3-methoxypropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 110976812
1-amino-3-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 116512075
1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine
CID 111123490
2-[[N-amino-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl carbamate
CID 104888085
1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883049
1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
1-amino-3-(2-methoxyethyl)-2-(4-methylsulfanylbutyl)guanidine
CID 104888522
1-amino-3-(3-ethoxypropyl)-2-(3-methylsulfonylpropyl)guanidine
CID 104884681

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine?
The IUPAC name of 1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine (CID 106341206) is 1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine is CNS(=O)(=O)CCN/C(=N/CCOC)NN.
What is the InChIKey of 1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine?
The InChIKey is SNLCLZFAVNBTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N5O3S/c1-9-16(13,14)6-4-11-7(12-8)10-3-5-15-2/h9H,3-6,8H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine?
1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine has a molecular weight of 253.33 g/mol, XLogP of -2.41, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine is sourced from PubChem (CID 106341206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).