10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one

C8H13NO2S — CID 79951388

IUPAC10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one
SMILESCC1SCCCC12COC(=O)N2
InChIInChI=1S/C8H13NO2S/c1-6-8(3-2-4-12-6)5-11-7(10)9-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeyDJGBPMFAZCXWQG-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.38
Rot. Bonds

About 10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one

10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one (PubChem CID 79951388) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one
PubChem CID79951388
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one
SMILESCC1SCCCC12COC(=O)N2
InChIInChI=1S/C8H13NO2S/c1-6-8(3-2-4-12-6)5-11-7(10)9-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeyDJGBPMFAZCXWQG-UHFFFAOYSA-N
XLogP1.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine;methane;(4S)-4-methyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 159220512
3-Oxa-8-thia-1-azaspiro[4.5]decan-2-one
CID 65584918
9,9-Dioxo-3-oxa-9lambda6-thia-1-azaspiro[4.5]decan-2-one
CID 65585538
3-Oxa-9-thia-1-azaspiro[4.5]decan-2-one
CID 65586611
7,7-Dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one
CID 79946771
8-Methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one
CID 79949478
6,6-Dimethyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one
CID 79956009
3-Oxa-9-thia-1-azaspiro[4.6]undecan-2-one
CID 84770504
4-Methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one
CID 105453841
4-(1,1-Dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one
CID 105492913
6-Methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one
CID 108425424
7,9-Dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione
CID 130006026

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one (CID 79951388) is 10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one is CC1SCCCC12COC(=O)N2.
What is the InChIKey of 10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one?
The InChIKey is DJGBPMFAZCXWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-6-8(3-2-4-12-6)5-11-7(10)9-8/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one?
10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one has a molecular weight of 187.26 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 79951388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).