2-methyl-1-(2-sulfamoylethyl)guanidine

C4H12N4O2S — CID 62358628

IUPAC2-methyl-1-(2-sulfamoylethyl)guanidine
SMILESC/N=C(\N)NCCS(N)(=O)=O
InChIInChI=1S/C4H12N4O2S/c1-7-4(5)8-2-3-11(6,9)10/h2-3H2,1H3,(H3,5,7,8)(H2,6,9,10)
InChIKeyXAHQLRPBHGGTAD-UHFFFAOYSA-N
MW180.23 g/mol
LogP-2.19
Rot. Bonds3

About 2-methyl-1-(2-sulfamoylethyl)guanidine

2-methyl-1-(2-sulfamoylethyl)guanidine (PubChem CID 62358628) has the molecular formula C4H12N4O2S and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-methyl-1-(2-sulfamoylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-sulfamoylethyl)guanidine
PubChem CID62358628
Molecular FormulaC4H12N4O2S
Molecular Weight180.23 g/mol
Exact Mass180.07
IUPAC Name2-methyl-1-(2-sulfamoylethyl)guanidine
SMILESC/N=C(\N)NCCS(N)(=O)=O
InChIInChI=1S/C4H12N4O2S/c1-7-4(5)8-2-3-11(6,9)10/h2-3H2,1H3,(H3,5,7,8)(H2,6,9,10)
InChIKeyXAHQLRPBHGGTAD-UHFFFAOYSA-N
XLogP-2.19
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
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-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
CID 111107658
1-ethyl-2-(2-sulfamoylethyl)guanidine
CID 62364849
1-(2-benzylsulfonylethyl)-2-methylguanidine
CID 119120447
3-oxo-N-(2-sulfamoylethyl)butanamide
CID 60933288
2-methyl-1-(3-oxopentyl)guanidine
CID 142981589
2-bromo-N-(2-sulfamoylethyl)propanamide
CID 107903383
N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62359742
1-butyl-2-methylguanidine;propane
CID 163254942
2-[(3,4-dimethoxyphenyl)methyl]-1-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111046622
1-(hydroxymethyl)-2-methylguanidine
CID 134159651
2-methyl-1-(4-methyl-3-oxopentyl)guanidine
CID 58774105
3-oxo-3-(2-sulfamoylethylamino)propanoic acid
CID 62230210

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-sulfamoylethyl)guanidine?
The IUPAC name of 2-methyl-1-(2-sulfamoylethyl)guanidine (CID 62358628) is 2-methyl-1-(2-sulfamoylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-sulfamoylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-sulfamoylethyl)guanidine is C/N=C(\N)NCCS(N)(=O)=O.
What is the InChIKey of 2-methyl-1-(2-sulfamoylethyl)guanidine?
The InChIKey is XAHQLRPBHGGTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4O2S/c1-7-4(5)8-2-3-11(6,9)10/h2-3H2,1H3,(H3,5,7,8)(H2,6,9,10).
What are the key properties of 2-methyl-1-(2-sulfamoylethyl)guanidine?
2-methyl-1-(2-sulfamoylethyl)guanidine has a molecular weight of 180.23 g/mol, XLogP of -2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-sulfamoylethyl)guanidine is sourced from PubChem (CID 62358628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).