1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone

C10H18N2OS — CID 169318404

IUPAC1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)SCCN2C
InChIInChI=1S/C10H18N2OS/c1-9(13)12-5-3-10(4-6-12)11(2)7-8-14-10/h3-8H2,1-2H3
InChIKeyIRGVZKZPRPUMSI-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.00
Rot. Bonds

About 1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone

1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone (PubChem CID 169318404) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone
PubChem CID169318404
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)SCCN2C
InChIInChI=1S/C10H18N2OS/c1-9(13)12-5-3-10(4-6-12)11(2)7-8-14-10/h3-8H2,1-2H3
InChIKeyIRGVZKZPRPUMSI-UHFFFAOYSA-N
XLogP1.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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 1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone (CID 169318404) is 1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone is CC(=O)N1CCC2(CC1)SCCN2C.
What is the InChIKey of 1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is IRGVZKZPRPUMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-9(13)12-5-3-10(4-6-12)11(2)7-8-14-10/h3-8H2,1-2H3.
What are the key properties of 1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone?
1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 214.33 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 169318404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).