8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C24H31N3O3S — CID 130201282

IUPAC8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2
InChIInChI=1S/C24H31N3O3S/c1-26(2)24(20-10-5-4-6-11-20)15-13-23(14-16-24)18-27(22(28)25-23)21-12-8-7-9-19(21)17-31(3,29)30/h4-12H,13-18H2,1-3H3,(H,25,28)
InChIKeyJDFDWXGUGYFAIL-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.53
Rot. Bonds5

About 8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201282) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201282
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2
InChIInChI=1S/C24H31N3O3S/c1-26(2)24(20-10-5-4-6-11-20)15-13-23(14-16-24)18-27(22(28)25-23)21-12-8-7-9-19(21)17-31(3,29)30/h4-12H,13-18H2,1-3H3,(H,25,28)
InChIKeyJDFDWXGUGYFAIL-UHFFFAOYSA-N
XLogP3.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201282) is 8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is JDFDWXGUGYFAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-26(2)24(20-10-5-4-6-11-20)15-13-23(14-16-24)18-27(22(28)25-23)21-12-8-7-9-19(21)17-31(3,29)30/h4-12H,13-18H2,1-3H3,(H,25,28).
What are the key properties of 8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 441.60 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).