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

C8H16N4O3S — CID 155600957

IUPAC(2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide
SMILESNC(=NO)[C@@H]1CC12CCN(S(N)(=O)=O)CC2
InChIInChI=1S/C8H16N4O3S/c9-7(11-13)6-5-8(6)1-3-12(4-2-8)16(10,14)15/h6,13H,1-5H2,(H2,9,11)(H2,10,14,15)/t6-/m0/s1
InChIKeyUSMSLTVIOLPFBW-LURJTMIESA-N
MW248.31 g/mol
LogP-0.96
Rot. Bonds2

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

(2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide (PubChem CID 155600957) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is (2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide.

Molecular Properties

Compound Name(2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide
PubChem CID155600957
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name(2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide
SMILESNC(=NO)[C@@H]1CC12CCN(S(N)(=O)=O)CC2
InChIInChI=1S/C8H16N4O3S/c9-7(11-13)6-5-8(6)1-3-12(4-2-8)16(10,14)15/h6,13H,1-5H2,(H2,9,11)(H2,10,14,15)/t6-/m0/s1
InChIKeyUSMSLTVIOLPFBW-LURJTMIESA-N
XLogP-0.96
TPSA122.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.96
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 (2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide?
The IUPAC name of (2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide (CID 155600957) is (2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide.
What is the SMILES notation for (2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide?
The canonical SMILES for (2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide is NC(=NO)[C@@H]1CC12CCN(S(N)(=O)=O)CC2.
What is the InChIKey of (2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide?
The InChIKey is USMSLTVIOLPFBW-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N4O3S/c9-7(11-13)6-5-8(6)1-3-12(4-2-8)16(10,14)15/h6,13H,1-5H2,(H2,9,11)(H2,10,14,15)/t6-/m0/s1.
What are the key properties of (2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide?
(2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide has a molecular weight of 248.31 g/mol, XLogP of -0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide is sourced from PubChem (CID 155600957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).