2-thia-7-azaspiro[4.4]nonan-8-one

C7H11NOS — CID 66109543

IUPAC2-thia-7-azaspiro[4.4]nonan-8-one
SMILESO=C1CC2(CCSC2)CN1
InChIInChI=1S/C7H11NOS/c9-6-3-7(4-8-6)1-2-10-5-7/h1-5H2,(H,8,9)
InChIKeySJBAQIRYNCFNSY-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.63
Rot. Bonds

About 2-thia-7-azaspiro[4.4]nonan-8-one

2-thia-7-azaspiro[4.4]nonan-8-one (PubChem CID 66109543) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-thia-7-azaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name2-thia-7-azaspiro[4.4]nonan-8-one
PubChem CID66109543
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-thia-7-azaspiro[4.4]nonan-8-one
SMILESO=C1CC2(CCSC2)CN1
InChIInChI=1S/C7H11NOS/c9-6-3-7(4-8-6)1-2-10-5-7/h1-5H2,(H,8,9)
InChIKeySJBAQIRYNCFNSY-UHFFFAOYSA-N
XLogP0.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thia-7-azaspiro[4.4]nonan-8-one?
The IUPAC name of 2-thia-7-azaspiro[4.4]nonan-8-one (CID 66109543) is 2-thia-7-azaspiro[4.4]nonan-8-one.
What is the SMILES notation for 2-thia-7-azaspiro[4.4]nonan-8-one?
The canonical SMILES for 2-thia-7-azaspiro[4.4]nonan-8-one is O=C1CC2(CCSC2)CN1.
What is the InChIKey of 2-thia-7-azaspiro[4.4]nonan-8-one?
The InChIKey is SJBAQIRYNCFNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c9-6-3-7(4-8-6)1-2-10-5-7/h1-5H2,(H,8,9).
What are the key properties of 2-thia-7-azaspiro[4.4]nonan-8-one?
2-thia-7-azaspiro[4.4]nonan-8-one has a molecular weight of 157.24 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thia-7-azaspiro[4.4]nonan-8-one is sourced from PubChem (CID 66109543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).