3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide

C6H16N4O3S — CID 76953214

IUPAC3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNS(=O)(=O)N(C)C)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-5(6(7)9-11)4-8-14(12,13)10(2)3/h5,8,11H,4H2,1-3H3,(H2,7,9)
InChIKeyGYPIXZAOSAVPEU-UHFFFAOYSA-N
MW224.29 g/mol
LogP-1.24
Rot. Bonds5

About 3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide

3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76953214) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID76953214
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC Name3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNS(=O)(=O)N(C)C)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-5(6(7)9-11)4-8-14(12,13)10(2)3/h5,8,11H,4H2,1-3H3,(H2,7,9)
InChIKeyGYPIXZAOSAVPEU-UHFFFAOYSA-N
XLogP-1.24
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 ≤ 5-1.24
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'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide (CID 76953214) is 3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide is CC(CNS(=O)(=O)N(C)C)C(N)=NO.
What is the InChIKey of 3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is GYPIXZAOSAVPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-5(6(7)9-11)4-8-14(12,13)10(2)3/h5,8,11H,4H2,1-3H3,(H2,7,9).
What are the key properties of 3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 224.29 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76953214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).