(4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol

C7H13NOS — CID 125041418

IUPAC(4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol
SMILESO[C@@H]1CCN[C@]12CCSC2
InChIInChI=1S/C7H13NOS/c9-6-1-3-8-7(6)2-4-10-5-7/h6,8-9H,1-5H2/t6-,7+/m1/s1
InChIKeyRONUWACGYCYREO-RQJHMYQMSA-N
MW159.25 g/mol
LogP0.22
Rot. Bonds

About (4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol

(4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol (PubChem CID 125041418) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is (4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol.

Molecular Properties

Compound Name(4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol
PubChem CID125041418
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name(4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol
SMILESO[C@@H]1CCN[C@]12CCSC2
InChIInChI=1S/C7H13NOS/c9-6-1-3-8-7(6)2-4-10-5-7/h6,8-9H,1-5H2/t6-,7+/m1/s1
InChIKeyRONUWACGYCYREO-RQJHMYQMSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol?
The IUPAC name of (4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol (CID 125041418) is (4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol.
What is the SMILES notation for (4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol?
The canonical SMILES for (4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol is O[C@@H]1CCN[C@]12CCSC2.
What is the InChIKey of (4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol?
The InChIKey is RONUWACGYCYREO-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13NOS/c9-6-1-3-8-7(6)2-4-10-5-7/h6,8-9H,1-5H2/t6-,7+/m1/s1.
What are the key properties of (4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol?
(4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol has a molecular weight of 159.25 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol is sourced from PubChem (CID 125041418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).