3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide

C8H19N3O3S — CID 77045072

IUPAC3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide
SMILESCC(C)(C)CS(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C8H19N3O3S/c1-8(2,3)6-15(13,14)10-5-4-7(9)11-12/h10,12H,4-6H2,1-3H3,(H2,9,11)
InChIKeyVWHASBDJIHSKKW-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.09
Rot. Bonds5

About 3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide

3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide (PubChem CID 77045072) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide
PubChem CID77045072
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide
SMILESCC(C)(C)CS(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C8H19N3O3S/c1-8(2,3)6-15(13,14)10-5-4-7(9)11-12/h10,12H,4-6H2,1-3H3,(H2,9,11)
InChIKeyVWHASBDJIHSKKW-UHFFFAOYSA-N
XLogP0.09
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.09
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-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide (CID 77045072) is 3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide is CC(C)(C)CS(=O)(=O)NCCC(N)=NO.
What is the InChIKey of 3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide?
The InChIKey is VWHASBDJIHSKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-8(2,3)6-15(13,14)10-5-4-7(9)11-12/h10,12H,4-6H2,1-3H3,(H2,9,11).
What are the key properties of 3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide?
3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide has a molecular weight of 237.32 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77045072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).