8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

C20H24N2OS — CID 118742453

IUPAC8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CCC3(CC2)NC(=O)CC3c2ccccc2)s1
InChIInChI=1S/C20H24N2OS/c1-15-7-8-17(24-15)14-22-11-9-20(10-12-22)18(13-19(23)21-20)16-5-3-2-4-6-16/h2-8,18H,9-14H2,1H3,(H,21,23)
InChIKeyXGOAXWXMNBVDHR-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.69
Rot. Bonds3

About 8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118742453) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118742453
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CCC3(CC2)NC(=O)CC3c2ccccc2)s1
InChIInChI=1S/C20H24N2OS/c1-15-7-8-17(24-15)14-22-11-9-20(10-12-22)18(13-19(23)21-20)16-5-3-2-4-6-16/h2-8,18H,9-14H2,1H3,(H,21,23)
InChIKeyXGOAXWXMNBVDHR-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 118742453) is 8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1ccc(CN2CCC3(CC2)NC(=O)CC3c2ccccc2)s1.
What is the InChIKey of 8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is XGOAXWXMNBVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-15-7-8-17(24-15)14-22-11-9-20(10-12-22)18(13-19(23)21-20)16-5-3-2-4-6-16/h2-8,18H,9-14H2,1H3,(H,21,23).
What are the key properties of 8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 340.49 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118742453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).