N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide

C6H15N3O3S — CID 104873867

IUPACN'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide
SMILESCC(C)(CNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C6H15N3O3S/c1-6(2,5(7)9-10)4-8-13(3,11)12/h8,10H,4H2,1-3H3,(H2,7,9)
InChIKeyWCFCJIMKAPKUAB-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.69
Rot. Bonds4

About N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide

N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide (PubChem CID 104873867) has the molecular formula C6H15N3O3S and a molecular weight of 209.27 g/mol. Its IUPAC name is N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide
PubChem CID104873867
Molecular FormulaC6H15N3O3S
Molecular Weight209.27 g/mol
Exact Mass209.08
IUPAC NameN'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide
SMILESCC(C)(CNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C6H15N3O3S/c1-6(2,5(7)9-10)4-8-13(3,11)12/h8,10H,4H2,1-3H3,(H2,7,9)
InChIKeyWCFCJIMKAPKUAB-UHFFFAOYSA-N
XLogP-0.69
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.69
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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Related Compounds

3-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104873880
N'-hydroxy-3-(methanesulfonamido)propanimidamide
CID 22733172
N'-hydroxy-3-(methanesulfonamido)propanimidamide
CID 73994016
(1Z)-N'-hydroxy-3-[(methylsulfonyl)amino]propanimidamide
CID 86586149
N'-hydroxy-4-(methanesulfonamido)butanimidamide
CID 76952830
N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide
CID 76953313
3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide
CID 77045072
3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 103521667
N'-hydroxy-2,2-dimethyl-3-(propan-2-ylsulfonylamino)propanimidamide
CID 104873844
3-(ethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104873853
3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104873860
N'-hydroxy-2,2-dimethyl-3-(propylsulfonylamino)propanimidamide
CID 104873866

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide (CID 104873867) is N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide is CC(C)(CNS(C)(=O)=O)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide?
The InChIKey is WCFCJIMKAPKUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3S/c1-6(2,5(7)9-10)4-8-13(3,11)12/h8,10H,4H2,1-3H3,(H2,7,9).
What are the key properties of N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide?
N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide has a molecular weight of 209.27 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 104873867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).