N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide

C5H14N4O3S — CID 104985798

IUPACN'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide
SMILESCC(C)(CNS(N)(=O)=O)C(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-5(2,4(6)9-10)3-8-13(7,11)12/h8,10H,3H2,1-2H3,(H2,6,9)(H2,7,11,12)
InChIKeyTWSOFMSYUIKPOT-UHFFFAOYSA-N
MW210.26 g/mol
LogP-1.45
Rot. Bonds4

About N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide

N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide (PubChem CID 104985798) has the molecular formula C5H14N4O3S and a molecular weight of 210.26 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide
PubChem CID104985798
Molecular FormulaC5H14N4O3S
Molecular Weight210.26 g/mol
Exact Mass210.08
IUPAC NameN'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide
SMILESCC(C)(CNS(N)(=O)=O)C(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-5(2,4(6)9-10)3-8-13(7,11)12/h8,10H,3H2,1-2H3,(H2,6,9)(H2,7,11,12)
InChIKeyTWSOFMSYUIKPOT-UHFFFAOYSA-N
XLogP-1.45
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
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'}

Analyze N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978574
3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 76953191
N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 104873849
3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104873865
N'-hydroxy-3-(methanesulfonamido)-2,2-dimethylpropanimidamide
CID 104873867
N'-hydroxy-4-(methylsulfamoylamino)butanimidamide
CID 104978416
N'-hydroxy-3-(methylsulfamoylamino)propanimidamide
CID 104978422
3-(tert-butylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978423
N'-hydroxy-3-(propylsulfamoylamino)propanimidamide
CID 104978424
3-(ethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978426
N'-hydroxy-2-methyl-3-(methylsulfamoylamino)propanimidamide
CID 104978429
N'-hydroxy-2-methyl-3-(propylsulfamoylamino)propanimidamide
CID 104978431

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide (CID 104985798) is N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide is CC(C)(CNS(N)(=O)=O)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide?
The InChIKey is TWSOFMSYUIKPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O3S/c1-5(2,4(6)9-10)3-8-13(7,11)12/h8,10H,3H2,1-2H3,(H2,6,9)(H2,7,11,12).
What are the key properties of N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide?
N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide has a molecular weight of 210.26 g/mol, XLogP of -1.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide is sourced from PubChem (CID 104985798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).