N-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide

C5H13N3O2S — CID 59055359

IUPACN-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide
SMILES[2H]NS(=O)(=O)N([2H])/C(=N/C)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)/i/hD2
InChIKeySDQSREMKEZUYNZ-ZSJDYOACSA-N
MW181.26 g/mol
LogP-0.54
Rot. Bonds3

About N-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide

N-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide (PubChem CID 59055359) has the molecular formula C5H13N3O2S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide.

Molecular Properties

Compound NameN-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide
PubChem CID59055359
Molecular FormulaC5H13N3O2S
Molecular Weight181.26 g/mol
Exact Mass181.09
IUPAC NameN-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide
SMILES[2H]NS(=O)(=O)N([2H])/C(=N/C)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)/i/hD2
InChIKeySDQSREMKEZUYNZ-ZSJDYOACSA-N
XLogP-0.54
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
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-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide?
The IUPAC name of N-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide (CID 59055359) is N-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide.
What is the SMILES notation for N-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide?
The canonical SMILES for N-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide is [2H]NS(=O)(=O)N([2H])/C(=N/C)C(C)C.
What is the InChIKey of N-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide?
The InChIKey is SDQSREMKEZUYNZ-ZSJDYOACSA-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)/i/hD2.
What are the key properties of N-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide?
N-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide has a molecular weight of 181.26 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide is sourced from PubChem (CID 59055359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).