iodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane

C5H10INO3S — CID 157129579

IUPACiodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane
SMILESC1SC[C@H]2C[C@@H]1N2.[O-][I+2]([O-])O
InChIInChI=1S/C5H9NS.HIO3/c1-4-2-7-3-5(1)6-4;2-1(3)4/h4-6H,1-3H2;2H/t4-,5+;
InChIKeyAIXDRGDDHLAUTM-JEVYUYNZSA-N
MW291.11 g/mol
LogP-5.47
Rot. Bonds

About iodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane

iodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane (PubChem CID 157129579) has the molecular formula C5H10INO3S and a molecular weight of 291.11 g/mol. Its IUPAC name is iodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Nameiodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane
PubChem CID157129579
Molecular FormulaC5H10INO3S
Molecular Weight291.11 g/mol
Exact Mass290.94
IUPAC Nameiodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane
SMILESC1SC[C@H]2C[C@@H]1N2.[O-][I+2]([O-])O
InChIInChI=1S/C5H9NS.HIO3/c1-4-2-7-3-5(1)6-4;2-1(3)4/h4-6H,1-3H2;2H/t4-,5+;
InChIKeyAIXDRGDDHLAUTM-JEVYUYNZSA-N
XLogP-5.47
TPSA78.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 5-5.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane?
The IUPAC name of iodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane (CID 157129579) is iodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for iodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for iodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane is C1SC[C@H]2C[C@@H]1N2.[O-][I+2]([O-])O.
What is the InChIKey of iodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane?
The InChIKey is AIXDRGDDHLAUTM-JEVYUYNZSA-N. The full InChI is InChI=1S/C5H9NS.HIO3/c1-4-2-7-3-5(1)6-4;2-1(3)4/h4-6H,1-3H2;2H/t4-,5+;.
What are the key properties of iodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane?
iodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane has a molecular weight of 291.11 g/mol, XLogP of -5.47, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iodic acid;(1R,5S)-3-thia-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 157129579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).