3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide

C5H14N4O3S — CID 76953191

IUPAC3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide
SMILESCN(C)S(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-9(2)13(11,12)7-4-3-5(6)8-10/h7,10H,3-4H2,1-2H3,(H2,6,8)
InChIKeyOKNNYWLOYVMYBS-UHFFFAOYSA-N
MW210.26 g/mol
LogP-1.48
Rot. Bonds5

About 3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide

3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide (PubChem CID 76953191) has the molecular formula C5H14N4O3S and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide
PubChem CID76953191
Molecular FormulaC5H14N4O3S
Molecular Weight210.26 g/mol
Exact Mass210.08
IUPAC Name3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide
SMILESCN(C)S(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-9(2)13(11,12)7-4-3-5(6)8-10/h7,10H,3-4H2,1-2H3,(H2,6,8)
InChIKeyOKNNYWLOYVMYBS-UHFFFAOYSA-N
XLogP-1.48
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide (CID 76953191) is 3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide is CN(C)S(=O)(=O)NCCC(N)=NO.
What is the InChIKey of 3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide?
The InChIKey is OKNNYWLOYVMYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O3S/c1-9(2)13(11,12)7-4-3-5(6)8-10/h7,10H,3-4H2,1-2H3,(H2,6,8).
What are the key properties of 3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide?
3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide has a molecular weight of 210.26 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 76953191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).