2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide

C6H13F2N3O3S — CID 77038202

IUPAC2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)S(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2N3O3S/c1-4(2)11(3-5(9)10-12)15(13,14)6(7)8/h4,6,12H,3H2,1-2H3,(H2,9,10)
InChIKeyQAAVJWYOFHRAMR-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.00
Rot. Bonds5

About 2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide

2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide (PubChem CID 77038202) has the molecular formula C6H13F2N3O3S and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
PubChem CID77038202
Molecular FormulaC6H13F2N3O3S
Molecular Weight245.25 g/mol
Exact Mass245.06
IUPAC Name2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)S(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2N3O3S/c1-4(2)11(3-5(9)10-12)15(13,14)6(7)8/h4,6,12H,3H2,1-2H3,(H2,9,10)
InChIKeyQAAVJWYOFHRAMR-UHFFFAOYSA-N
XLogP-0.00
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
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

2-[Difluoromethylsulfonyl(ethyl)amino]ethanimidamide
CID 64406938
2-[Difluoromethylsulfonyl(propyl)amino]ethanimidamide
CID 64407568
2-[Difluoromethylsulfonyl(methyl)amino]propanimidamide
CID 64408648
2-[Difluoromethylsulfonyl(propan-2-yl)amino]ethanimidamide
CID 64474218
3-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910586
3-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 76911573
2-[difluoromethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927500
2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
CID 76928343
2-[difluoromethylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76928793
2-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxyethanimidamide
CID 76929468
3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987880
2-[4-(difluoromethylsulfonyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012637

Frequently Asked Questions

What is the IUPAC name of 2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide (CID 77038202) is 2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide is CC(C)N(CC(N)=NO)S(=O)(=O)C(F)F.
What is the InChIKey of 2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The InChIKey is QAAVJWYOFHRAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O3S/c1-4(2)11(3-5(9)10-12)15(13,14)6(7)8/h4,6,12H,3H2,1-2H3,(H2,9,10).
What are the key properties of 2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide has a molecular weight of 245.25 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoromethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77038202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).