2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C10H18N2OS — CID 22097452

IUPAC2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC1SC2(CCN(C)CC2)N(C)C1=O
InChIInChI=1S/C10H18N2OS/c1-8-9(13)12(3)10(14-8)4-6-11(2)7-5-10/h8H,4-7H2,1-3H3
InChIKeyRLYDPSYBQXOROH-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.00
Rot. Bonds

About 2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 22097452) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID22097452
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC1SC2(CCN(C)CC2)N(C)C1=O
InChIInChI=1S/C10H18N2OS/c1-8-9(13)12(3)10(14-8)4-6-11(2)7-5-10/h8H,4-7H2,1-3H3
InChIKeyRLYDPSYBQXOROH-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
(2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 118732904
2,8-Dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 22139651
(4-Propan-2-ylpiperazin-1-yl)-(thiolan-2-yl)methanone
CID 70214355
2-Ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 11528611
(S)-2-Ethyl-1-thia-4,8-diaza-spiro[4.5]decan-3-one
CID 9794221
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
1-[8-Methyl-3-(pyrrolidine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]ethanone
CID 126458997

Frequently Asked Questions

What is the IUPAC name of 2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 22097452) is 2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CC1SC2(CCN(C)CC2)N(C)C1=O.
What is the InChIKey of 2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RLYDPSYBQXOROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-9(13)12(3)10(14-8)4-6-11(2)7-5-10/h8H,4-7H2,1-3H3.
What are the key properties of 2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one 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 2,4,8-trimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 22097452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).