2-methyl-N'-sulfamoylpropanimidamide

C4H11N3O2S — CID 20826001

IUPAC2-methyl-N'-sulfamoylpropanimidamide
SMILESCC(C)/C(N)=N\S(N)(=O)=O
InChIInChI=1S/C4H11N3O2S/c1-3(2)4(5)7-10(6,8)9/h3H,1-2H3,(H2,5,7)(H2,6,8,9)
InChIKeyMOMRBGFTEQNYPR-UHFFFAOYSA-N
MW165.22 g/mol
LogP-0.80
Rot. Bonds2

About 2-methyl-N'-sulfamoylpropanimidamide

2-methyl-N'-sulfamoylpropanimidamide (PubChem CID 20826001) has the molecular formula C4H11N3O2S and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-methyl-N'-sulfamoylpropanimidamide.

Molecular Properties

Compound Name2-methyl-N'-sulfamoylpropanimidamide
PubChem CID20826001
Molecular FormulaC4H11N3O2S
Molecular Weight165.22 g/mol
Exact Mass165.06
IUPAC Name2-methyl-N'-sulfamoylpropanimidamide
SMILESCC(C)/C(N)=N\S(N)(=O)=O
InChIInChI=1S/C4H11N3O2S/c1-3(2)4(5)7-10(6,8)9/h3H,1-2H3,(H2,5,7)(H2,6,8,9)
InChIKeyMOMRBGFTEQNYPR-UHFFFAOYSA-N
XLogP-0.80
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-sulfamoylpropanimidamide?
The IUPAC name of 2-methyl-N'-sulfamoylpropanimidamide (CID 20826001) is 2-methyl-N'-sulfamoylpropanimidamide.
What is the SMILES notation for 2-methyl-N'-sulfamoylpropanimidamide?
The canonical SMILES for 2-methyl-N'-sulfamoylpropanimidamide is CC(C)/C(N)=N\S(N)(=O)=O.
What is the InChIKey of 2-methyl-N'-sulfamoylpropanimidamide?
The InChIKey is MOMRBGFTEQNYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2S/c1-3(2)4(5)7-10(6,8)9/h3H,1-2H3,(H2,5,7)(H2,6,8,9).
What are the key properties of 2-methyl-N'-sulfamoylpropanimidamide?
2-methyl-N'-sulfamoylpropanimidamide has a molecular weight of 165.22 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-sulfamoylpropanimidamide is sourced from PubChem (CID 20826001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).