1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C19H26N2O2S — CID 72904394

IUPAC1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCSCCC(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N2C
InChIInChI=1S/C19H26N2O2S/c1-20-18(23)16(15-6-4-3-5-7-15)14-19(20)9-11-21(12-10-19)17(22)8-13-24-2/h3-7,16H,8-14H2,1-2H3
InChIKeyWDLVVFOMYMXPEH-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.75
Rot. Bonds4

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

1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 72904394) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID72904394
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCSCCC(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N2C
InChIInChI=1S/C19H26N2O2S/c1-20-18(23)16(15-6-4-3-5-7-15)14-19(20)9-11-21(12-10-19)17(22)8-13-24-2/h3-7,16H,8-14H2,1-2H3
InChIKeyWDLVVFOMYMXPEH-UHFFFAOYSA-N
XLogP2.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 72904394) is 1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CSCCC(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N2C.
What is the InChIKey of 1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WDLVVFOMYMXPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-20-18(23)16(15-6-4-3-5-7-15)14-19(20)9-11-21(12-10-19)17(22)8-13-24-2/h3-7,16H,8-14H2,1-2H3.
What are the key properties of 1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 346.50 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(3-methylsulfanylpropanoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72904394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).