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

C17H24N2OS — CID 83247835

IUPAC6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1CCCCC1CN1C(=O)C2(CC2)NC1c1cccs1
InChIInChI=1S/C17H24N2OS/c1-12-5-2-3-6-13(12)11-19-15(14-7-4-10-21-14)18-17(8-9-17)16(19)20/h4,7,10,12-13,15,18H,2-3,5-6,8-9,11H2,1H3
InChIKeyBXLPZTJVKNQBAD-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.54
Rot. Bonds3

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

6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83247835) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83247835
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1CCCCC1CN1C(=O)C2(CC2)NC1c1cccs1
InChIInChI=1S/C17H24N2OS/c1-12-5-2-3-6-13(12)11-19-15(14-7-4-10-21-14)18-17(8-9-17)16(19)20/h4,7,10,12-13,15,18H,2-3,5-6,8-9,11H2,1H3
InChIKeyBXLPZTJVKNQBAD-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one with MolForge

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Related Compounds

6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270276
6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83249157
6-(1-cyclopropylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264663
6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83269807
6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83250421
5-thiophen-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83264204
6-[1-(dimethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260615
3-(2-methylcycloheptyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83258933
6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 103065518
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83250456
6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83252441
5-ethyl-5-methyl-3-[(2-methylcyclopentyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 107421445

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83247835) is 6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is CC1CCCCC1CN1C(=O)C2(CC2)NC1c1cccs1.
What is the InChIKey of 6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is BXLPZTJVKNQBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12-5-2-3-6-13(12)11-19-15(14-7-4-10-21-14)18-17(8-9-17)16(19)20/h4,7,10,12-13,15,18H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of 6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 304.46 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83247835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).