8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C20H23N3O3S — CID 3871232

IUPAC8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3S/c1-16-7-9-18(10-8-16)27(25,26)22-13-11-20(12-14-22)19(24)21-15-23(20)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,24)
InChIKeyGVWOWIJVRLIGMG-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.11
Rot. Bonds3

About 8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 3871232) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID3871232
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3S/c1-16-7-9-18(10-8-16)27(25,26)22-13-11-20(12-14-22)19(24)21-15-23(20)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,24)
InChIKeyGVWOWIJVRLIGMG-UHFFFAOYSA-N
XLogP2.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 3871232) is 8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is Cc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1.
What is the InChIKey of 8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is GVWOWIJVRLIGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-16-7-9-18(10-8-16)27(25,26)22-13-11-20(12-14-22)19(24)21-15-23(20)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,24).
What are the key properties of 8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 385.49 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 3871232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).