6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one

C14H18N2OS2 — CID 83270276

IUPAC6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(CC2CCCS2)C(c2cccs2)NC12CC2
InChIInChI=1S/C14H18N2OS2/c17-13-14(5-6-14)15-12(11-4-2-8-19-11)16(13)9-10-3-1-7-18-10/h2,4,8,10,12,15H,1,3,5-7,9H2
InChIKeySTIUGRJEPFZGJF-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.61
Rot. Bonds3

About 6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one

6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83270276) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83270276
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC Name6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(CC2CCCS2)C(c2cccs2)NC12CC2
InChIInChI=1S/C14H18N2OS2/c17-13-14(5-6-14)15-12(11-4-2-8-19-11)16(13)9-10-3-1-7-18-10/h2,4,8,10,12,15H,1,3,5-7,9H2
InChIKeySTIUGRJEPFZGJF-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247835
6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83249157
5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270283
5-thiophen-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83264204
5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270001
5-propyl-6-(thiolan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270353
6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83250421
2-cyclopentyl-3-(thiolan-2-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83270006
6-(1-cyclopropylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264663
6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 103065518
6-[1-(dimethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260615
6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83269807

Frequently Asked Questions

What is the IUPAC name of 6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83270276) is 6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is O=C1N(CC2CCCS2)C(c2cccs2)NC12CC2.
What is the InChIKey of 6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is STIUGRJEPFZGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c17-13-14(5-6-14)15-12(11-4-2-8-19-11)16(13)9-10-3-1-7-18-10/h2,4,8,10,12,15H,1,3,5-7,9H2.
What are the key properties of 6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 294.44 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83270276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).