N'-sulfamoylpropanimidamide

C3H9N3O2S — CID 54449604

IUPACN'-sulfamoylpropanimidamide
SMILESCCC(N)=NS(N)(=O)=O
InChIInChI=1S/C3H9N3O2S/c1-2-3(4)6-9(5,7)8/h2H2,1H3,(H2,4,6)(H2,5,7,8)
InChIKeyWTZIORLRPKTMHE-UHFFFAOYSA-N
MW151.19 g/mol
LogP-1.04
Rot. Bonds2

About N'-sulfamoylpropanimidamide

N'-sulfamoylpropanimidamide (PubChem CID 54449604) has the molecular formula C3H9N3O2S and a molecular weight of 151.19 g/mol. Its IUPAC name is N'-sulfamoylpropanimidamide.

Molecular Properties

Compound NameN'-sulfamoylpropanimidamide
PubChem CID54449604
Molecular FormulaC3H9N3O2S
Molecular Weight151.19 g/mol
Exact Mass151.04
IUPAC NameN'-sulfamoylpropanimidamide
SMILESCCC(N)=NS(N)(=O)=O
InChIInChI=1S/C3H9N3O2S/c1-2-3(4)6-9(5,7)8/h2H2,1H3,(H2,4,6)(H2,5,7,8)
InChIKeyWTZIORLRPKTMHE-UHFFFAOYSA-N
XLogP-1.04
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-1.04
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 N'-sulfamoylpropanimidamide?
The IUPAC name of N'-sulfamoylpropanimidamide (CID 54449604) is N'-sulfamoylpropanimidamide.
What is the SMILES notation for N'-sulfamoylpropanimidamide?
The canonical SMILES for N'-sulfamoylpropanimidamide is CCC(N)=NS(N)(=O)=O.
What is the InChIKey of N'-sulfamoylpropanimidamide?
The InChIKey is WTZIORLRPKTMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O2S/c1-2-3(4)6-9(5,7)8/h2H2,1H3,(H2,4,6)(H2,5,7,8).
What are the key properties of N'-sulfamoylpropanimidamide?
N'-sulfamoylpropanimidamide has a molecular weight of 151.19 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-sulfamoylpropanimidamide is sourced from PubChem (CID 54449604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).