N',2-dimethyl-N-sulfamoylpropanimidamide

C5H13N3O2S — CID 20579155

IUPACN',2-dimethyl-N-sulfamoylpropanimidamide
SMILESC/N=C(/NS(N)(=O)=O)C(C)C
InChIInChI=1S/C5H13N3O2S/c1-4(2)5(7-3)8-11(6,9)10/h4H,1-3H3,(H,7,8)(H2,6,9,10)
InChIKeySDQSREMKEZUYNZ-UHFFFAOYSA-N
MW179.25 g/mol
LogP-0.54
Rot. Bonds2

About N',2-dimethyl-N-sulfamoylpropanimidamide

N',2-dimethyl-N-sulfamoylpropanimidamide (PubChem CID 20579155) has the molecular formula C5H13N3O2S and a molecular weight of 179.25 g/mol. Its IUPAC name is N',2-dimethyl-N-sulfamoylpropanimidamide.

Molecular Properties

Compound NameN',2-dimethyl-N-sulfamoylpropanimidamide
PubChem CID20579155
Molecular FormulaC5H13N3O2S
Molecular Weight179.25 g/mol
Exact Mass179.07
IUPAC NameN',2-dimethyl-N-sulfamoylpropanimidamide
SMILESC/N=C(/NS(N)(=O)=O)C(C)C
InChIInChI=1S/C5H13N3O2S/c1-4(2)5(7-3)8-11(6,9)10/h4H,1-3H3,(H,7,8)(H2,6,9,10)
InChIKeySDQSREMKEZUYNZ-UHFFFAOYSA-N
XLogP-0.54
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N-sulfamoylpropanimidamide?
The IUPAC name of N',2-dimethyl-N-sulfamoylpropanimidamide (CID 20579155) is N',2-dimethyl-N-sulfamoylpropanimidamide.
What is the SMILES notation for N',2-dimethyl-N-sulfamoylpropanimidamide?
The canonical SMILES for N',2-dimethyl-N-sulfamoylpropanimidamide is C/N=C(/NS(N)(=O)=O)C(C)C.
What is the InChIKey of N',2-dimethyl-N-sulfamoylpropanimidamide?
The InChIKey is SDQSREMKEZUYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S/c1-4(2)5(7-3)8-11(6,9)10/h4H,1-3H3,(H,7,8)(H2,6,9,10).
What are the key properties of N',2-dimethyl-N-sulfamoylpropanimidamide?
N',2-dimethyl-N-sulfamoylpropanimidamide has a molecular weight of 179.25 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N-sulfamoylpropanimidamide is sourced from PubChem (CID 20579155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).