2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one

C14H24N2OS — CID 107299046

IUPAC2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1CC1CCSC1
InChIInChI=1S/C14H24N2OS/c1-2-12-15-14(6-3-4-7-14)13(17)16(12)9-11-5-8-18-10-11/h11-12,15H,2-10H2,1H3
InChIKeyTWEWPHLYQPDQGE-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.22
Rot. Bonds3

About 2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one

2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 107299046) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID107299046
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1CC1CCSC1
InChIInChI=1S/C14H24N2OS/c1-2-12-15-14(6-3-4-7-14)13(17)16(12)9-11-5-8-18-10-11/h11-12,15H,2-10H2,1H3
InChIKeyTWEWPHLYQPDQGE-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107298986
2-ethyl-3-(oxolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83255122
5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83249122
3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83253627
3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83263939
6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163
4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107298582
5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 114137896
3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 105421130
5-ethyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83251449
2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 114401595
5-propyl-6-(thiolan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270353

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 107299046) is 2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one is CCC1NC2(CCCC2)C(=O)N1CC1CCSC1.
What is the InChIKey of 2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is TWEWPHLYQPDQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-2-12-15-14(6-3-4-7-14)13(17)16(12)9-11-5-8-18-10-11/h11-12,15H,2-10H2,1H3.
What are the key properties of 2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one?
2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 268.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 107299046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).