3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide

C6H16N4O3S — CID 76934632

IUPAC3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)N(C)C
InChIInChI=1S/C6H16N4O3S/c1-5(4-6(7)8-11)9-14(12,13)10(2)3/h5,9,11H,4H2,1-3H3,(H2,7,8)
InChIKeyJRVCXRNKTBLLBT-UHFFFAOYSA-N
MW224.29 g/mol
LogP-1.09
Rot. Bonds5

About 3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide

3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide (PubChem CID 76934632) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
PubChem CID76934632
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC Name3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NS(=O)(=O)N(C)C
InChIInChI=1S/C6H16N4O3S/c1-5(4-6(7)8-11)9-14(12,13)10(2)3/h5,9,11H,4H2,1-3H3,(H2,7,8)
InChIKeyJRVCXRNKTBLLBT-UHFFFAOYSA-N
XLogP-1.09
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-1.09
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'-hydroxybutanimidamide?
The IUPAC name of 3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide (CID 76934632) is 3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide is CC(CC(N)=NO)NS(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide?
The InChIKey is JRVCXRNKTBLLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-5(4-6(7)8-11)9-14(12,13)10(2)3/h5,9,11H,4H2,1-3H3,(H2,7,8).
What are the key properties of 3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide?
3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide has a molecular weight of 224.29 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76934632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).