6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one

C13H22N2O3S — CID 83243550

IUPAC6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)C1NC2(CC2)C(=O)N1C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H22N2O3S/c1-9(2)11-14-13(5-6-13)12(16)15(11)10-3-7-19(17,18)8-4-10/h9-11,14H,3-8H2,1-2H3
InChIKeyOHENEELNNPGITE-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.51
Rot. Bonds2

About 6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one

6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83243550) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83243550
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)C1NC2(CC2)C(=O)N1C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H22N2O3S/c1-9(2)11-14-13(5-6-13)12(16)15(11)10-3-7-19(17,18)8-4-10/h9-11,14H,3-8H2,1-2H3
InChIKeyOHENEELNNPGITE-UHFFFAOYSA-N
XLogP0.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one with MolForge

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Related Compounds

6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244558
6-(2,4-dimethylcyclohexyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264077
6-(2-methyloxolan-3-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83259585
6-(dicyclopropylmethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83252344
5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one
CID 83245017
3-cyclopropyl-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83242472
6-cycloheptyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243483
3-(1,1-dioxothian-4-yl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83243310
3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83244515
6-(4-methylhexan-2-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83263260
2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83239406
5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248334

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83243550) is 6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is CC(C)C1NC2(CC2)C(=O)N1C1CCS(=O)(=O)CC1.
What is the InChIKey of 6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is OHENEELNNPGITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9(2)11-14-13(5-6-13)12(16)15(11)10-3-7-19(17,18)8-4-10/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 286.40 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxothian-4-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83243550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).