(5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione

C7H9NO2S — CID 51885348

IUPAC(5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1C[C@@]2(CCSC2)C(=O)N1
InChIInChI=1S/C7H9NO2S/c9-5-3-7(6(10)8-5)1-2-11-4-7/h1-4H2,(H,8,9,10)/t7-/m1/s1
InChIKeyNSQVQHZPFVQGBJ-SSDOTTSWSA-N
MW171.22 g/mol
LogP0.16
Rot. Bonds

About (5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione

(5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 51885348) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name(5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID51885348
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1C[C@@]2(CCSC2)C(=O)N1
InChIInChI=1S/C7H9NO2S/c9-5-3-7(6(10)8-5)1-2-11-4-7/h1-4H2,(H,8,9,10)/t7-/m1/s1
InChIKeyNSQVQHZPFVQGBJ-SSDOTTSWSA-N
XLogP0.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of (5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione (CID 51885348) is (5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for (5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for (5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione is O=C1C[C@@]2(CCSC2)C(=O)N1.
What is the InChIKey of (5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is NSQVQHZPFVQGBJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H9NO2S/c9-5-3-7(6(10)8-5)1-2-11-4-7/h1-4H2,(H,8,9,10)/t7-/m1/s1.
What are the key properties of (5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
(5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 171.22 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 51885348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).