4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C9H16N2OS — CID 45096689

IUPAC4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)SCC(=O)N2C
InChIInChI=1S/C9H16N2OS/c1-10-5-3-9(4-6-10)11(2)8(12)7-13-9/h3-7H2,1-2H3
InChIKeyUQFVOYTXHWBJOS-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.61
Rot. Bonds

About 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 45096689) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID45096689
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)SCC(=O)N2C
InChIInChI=1S/C9H16N2OS/c1-10-5-3-9(4-6-10)11(2)8(12)7-13-9/h3-7H2,1-2H3
InChIKeyUQFVOYTXHWBJOS-UHFFFAOYSA-N
XLogP0.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

Ngx-267
CID 10013505
3-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 87278539
2,8-Dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 22139651
8-Acetyl-4-(cyclopropylmethyl)-1-oxo-1lambda4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 110197136
2-Ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 11528611
3-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 87278537
3-(3-Fluoro-1-methylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione
CID 87278538
3-[(3R,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 144287322
2-Butyl-3-(2-(piperidin-1-yl)ethyl)thiazolidin-4-one
CID 132277366
4-(2-(Piperidin-1-yl)ethyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 132280448
4-[2-(Dimethylamino)ethyl]-8-hexyl-1-thia-4,8-diazaspiro[4,5]decan-3-one
CID 162640089
4-[3-(Dimethylamino)propyl]-8-hexyl-1-thia-4,8-diazaspiro[4,5]decan-3-one
CID 162640104

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 45096689) is 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CN1CCC2(CC1)SCC(=O)N2C.
What is the InChIKey of 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is UQFVOYTXHWBJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-10-5-3-9(4-6-10)11(2)8(12)7-13-9/h3-7H2,1-2H3.
What are the key properties of 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 200.31 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 45096689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).