1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one

C6H9NO2S — CID 105431238

IUPAC1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCSC2)ON1
InChIInChI=1S/C6H9NO2S/c8-5-3-6(9-7-5)1-2-10-4-6/h1-4H2,(H,7,8)
InChIKeyDRCSOJYNUFTPQH-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.31
Rot. Bonds

About 1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one

1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one (PubChem CID 105431238) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one
PubChem CID105431238
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCSC2)ON1
InChIInChI=1S/C6H9NO2S/c8-5-3-6(9-7-5)1-2-10-4-6/h1-4H2,(H,7,8)
InChIKeyDRCSOJYNUFTPQH-UHFFFAOYSA-N
XLogP0.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 51885348
2-thia-7-azaspiro[4.4]nonan-8-one
CID 66109543
7-thia-2-azaspiro[4.5]decan-3-one
CID 66107389
1-methyl-7-thia-2-azaspiro[4.4]nonan-3-one
CID 66109126
6-methylspiro[3H-chromene-2,3'-thiolane]-4-one
CID 114673434
2,6-dithiaspiro[4.5]decan-9-one
CID 82404855
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 83261331
5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one
CID 79903904
8-oxa-2-thia-6-azaspiro[4.5]decan-7-one
CID 84766499
5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione
CID 79955836
[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921312
7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4868343

Frequently Asked Questions

What is the IUPAC name of 1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one?
The IUPAC name of 1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one (CID 105431238) is 1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one is O=C1CC2(CCSC2)ON1.
What is the InChIKey of 1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one?
The InChIKey is DRCSOJYNUFTPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c8-5-3-6(9-7-5)1-2-10-4-6/h1-4H2,(H,7,8).
What are the key properties of 1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one?
1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one has a molecular weight of 159.21 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-7-thia-2-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 105431238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).