9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one

C10H17NOS — CID 82397620

IUPAC9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one
SMILESCN1CCC2(CC1)CC(=O)CCS2
InChIInChI=1S/C10H17NOS/c1-11-5-3-10(4-6-11)8-9(12)2-7-13-10/h2-8H2,1H3
InChIKeyJSIVGYCOERARQJ-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.55
Rot. Bonds

About 9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one

9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one (PubChem CID 82397620) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one
PubChem CID82397620
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one
SMILESCN1CCC2(CC1)CC(=O)CCS2
InChIInChI=1S/C10H17NOS/c1-11-5-3-10(4-6-11)8-9(12)2-7-13-10/h2-8H2,1H3
InChIKeyJSIVGYCOERARQJ-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dithiaspiro[4.5]decan-9-one
CID 82404855
6-methyl-1-thia-6-azaspiro[3.3]heptane
CID 90368388
6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
CID 21055565
8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 115023776
8-methyl-1-oxo-2,4,8-triaza-1-azoniaspiro[4.5]decan-3-one
CID 140757355
5,9-dimethyl-1,5,9-triazaspiro[5.5]undecan-4-one
CID 144828070
6-methyl-6-azaspiro[4.5]decan-9-one
CID 10241171
1-methylazepane-4,5-dione
CID 154317787
5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one
CID 91280510
(NZ)-N-(2,8-dimethyl-1-thia-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine
CID 87228687
2,2-diethyl-1-methylpiperidin-4-one
CID 125458527
3-methyl-3,10-diazaspiro[5.6]dodecan-9-one
CID 135257115

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one?
The IUPAC name of 9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one (CID 82397620) is 9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one.
What is the SMILES notation for 9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one?
The canonical SMILES for 9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one is CN1CCC2(CC1)CC(=O)CCS2.
What is the InChIKey of 9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one?
The InChIKey is JSIVGYCOERARQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-11-5-3-10(4-6-11)8-9(12)2-7-13-10/h2-8H2,1H3.
What are the key properties of 9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one?
9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one has a molecular weight of 199.32 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-thia-9-azaspiro[5.5]undecan-4-one is sourced from PubChem (CID 82397620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).