8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one

C8H13NO3S — CID 105455477

IUPAC8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCS(=O)(=O)CC2
InChIInChI=1S/C8H13NO3S/c10-7-8(1-4-9-7)2-5-13(11,12)6-3-8/h1-6H2,(H,9,10)
InChIKeyYYWNMNQOGFXCDK-UHFFFAOYSA-N
MW203.26 g/mol
LogP-0.30
Rot. Bonds

About 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one

8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one (PubChem CID 105455477) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one
PubChem CID105455477
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCS(=O)(=O)CC2
InChIInChI=1S/C8H13NO3S/c10-7-8(1-4-9-7)2-5-13(11,12)6-3-8/h1-6H2,(H,9,10)
InChIKeyYYWNMNQOGFXCDK-UHFFFAOYSA-N
XLogP-0.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8Lambda6-thia-2-azaspiro[4.5]decane-3,8,8-trione
CID 66107161
2-(1,1-dioxothiolan-3-yl)-N-(2-sulfanylethyl)acetamide
CID 177680466
N-[(4-methyl-1,1-dioxothian-4-yl)methyl]-3-sulfanylpropanamide
CID 177681351
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-3-ylethanone
CID 58735493
N-(5-tert-butylsulfonylpentyl)-3,3-dimethylbutanamide
CID 59549016
8-(Cyclopropylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 59577948
8-(Isobutylsulfonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 59577951
4-butylsulfonyl-N-methylpiperidine-4-carboxamide
CID 60102904
8-Thia-2-azaspiro[4.5]decan-3-one
CID 66106299
6,6-Dioxo-6lambda6-thia-2,9-diazaspiro[4.5]decan-1-one
CID 67992744
2-Cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 68756517
6-Cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 68756518

Frequently Asked Questions

What is the IUPAC name of 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one (CID 105455477) is 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one is O=C1NCCC12CCS(=O)(=O)CC2.
What is the InChIKey of 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one?
The InChIKey is YYWNMNQOGFXCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c10-7-8(1-4-9-7)2-5-13(11,12)6-3-8/h1-6H2,(H,9,10).
What are the key properties of 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one?
8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one has a molecular weight of 203.26 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 105455477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).