1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C17H24N2O3S — CID 118738771

IUPAC1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)C(c2ccccc2)CC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C17H24N2O3S/c1-3-19-16(20)15(14-7-5-4-6-8-14)13-17(19)9-11-18(12-10-17)23(2,21)22/h4-8,15H,3,9-13H2,1-2H3
InChIKeyYOYMALINTKTUKL-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.82
Rot. Bonds3

About 1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118738771) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118738771
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)C(c2ccccc2)CC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C17H24N2O3S/c1-3-19-16(20)15(14-7-5-4-6-8-14)13-17(19)9-11-18(12-10-17)23(2,21)22/h4-8,15H,3,9-13H2,1-2H3
InChIKeyYOYMALINTKTUKL-UHFFFAOYSA-N
XLogP1.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 118738771) is 1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CCN1C(=O)C(c2ccccc2)CC12CCN(S(C)(=O)=O)CC2.
What is the InChIKey of 1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YOYMALINTKTUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-3-19-16(20)15(14-7-5-4-6-8-14)13-17(19)9-11-18(12-10-17)23(2,21)22/h4-8,15H,3,9-13H2,1-2H3.
What are the key properties of 1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 336.46 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-methylsulfonyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118738771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).