5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one

C15H26N2OS — CID 83270679

IUPAC5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CC1NC2(CC2)C(=O)N1CC1CCCCS1
InChIInChI=1S/C15H26N2OS/c1-11(2)9-13-16-15(6-7-15)14(18)17(13)10-12-5-3-4-8-19-12/h11-13,16H,3-10H2,1-2H3
InChIKeyUNZUNAFOVNIDPS-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.61
Rot. Bonds4

About 5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one

5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83270679) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83270679
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CC1NC2(CC2)C(=O)N1CC1CCCCS1
InChIInChI=1S/C15H26N2OS/c1-11(2)9-13-16-15(6-7-15)14(18)17(13)10-12-5-3-4-8-19-12/h11-13,16H,3-10H2,1-2H3
InChIKeyUNZUNAFOVNIDPS-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-propyl-6-(thiolan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270353
5-(2-methylpropyl)-6-(oxan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83256741
2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107298986
2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270997
2-cyclopentyl-3-(thiolan-2-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83270006
3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107421436
5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266972
6-[(1-methylcyclopentyl)methyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83257010
5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270788
6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819249
5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260540
6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114517119

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83270679) is 5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C)CC1NC2(CC2)C(=O)N1CC1CCCCS1.
What is the InChIKey of 5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is UNZUNAFOVNIDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-11(2)9-13-16-15(6-7-15)14(18)17(13)10-12-5-3-4-8-19-12/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 282.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83270679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).