(1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide

C8H14F2N4O3S — CID 155600968

IUPAC(1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide
SMILESNC(=NO)[C@@H]1C(F)(F)C12CCN(S(N)(=O)=O)CC2
InChIInChI=1S/C8H14F2N4O3S/c9-8(10)5(6(11)13-15)7(8)1-3-14(4-2-7)18(12,16)17/h5,15H,1-4H2,(H2,11,13)(H2,12,16,17)/t5-/m0/s1
InChIKeySUFRXKNCZDHBPO-YFKPBYRVSA-N
MW284.29 g/mol
LogP-0.72
Rot. Bonds2

About (1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide

(1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide (PubChem CID 155600968) has the molecular formula C8H14F2N4O3S and a molecular weight of 284.29 g/mol. Its IUPAC name is (1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide
PubChem CID155600968
Molecular FormulaC8H14F2N4O3S
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Name(1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide
SMILESNC(=NO)[C@@H]1C(F)(F)C12CCN(S(N)(=O)=O)CC2
InChIInChI=1S/C8H14F2N4O3S/c9-8(10)5(6(11)13-15)7(8)1-3-14(4-2-7)18(12,16)17/h5,15H,1-4H2,(H2,11,13)(H2,12,16,17)/t5-/m0/s1
InChIKeySUFRXKNCZDHBPO-YFKPBYRVSA-N
XLogP-0.72
TPSA122.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-0.72
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 (1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide?
The IUPAC name of (1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide (CID 155600968) is (1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide.
What is the SMILES notation for (1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide?
The canonical SMILES for (1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide is NC(=NO)[C@@H]1C(F)(F)C12CCN(S(N)(=O)=O)CC2.
What is the InChIKey of (1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide?
The InChIKey is SUFRXKNCZDHBPO-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H14F2N4O3S/c9-8(10)5(6(11)13-15)7(8)1-3-14(4-2-7)18(12,16)17/h5,15H,1-4H2,(H2,11,13)(H2,12,16,17)/t5-/m0/s1.
What are the key properties of (1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide?
(1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide has a molecular weight of 284.29 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboximidamide is sourced from PubChem (CID 155600968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).