6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

C18H27N3O3S — CID 131649005

IUPAC6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(C)CS(=O)(=O)N1CCC2(CN(c3ccccc3)C(=O)CN2C)C1
InChIInChI=1S/C18H27N3O3S/c1-15(2)12-25(23,24)20-10-9-18(13-20)14-21(17(22)11-19(18)3)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3
InChIKeyPGFIAWLNTCUAJL-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.40
Rot. Bonds4

About 6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131649005) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID131649005
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(C)CS(=O)(=O)N1CCC2(CN(c3ccccc3)C(=O)CN2C)C1
InChIInChI=1S/C18H27N3O3S/c1-15(2)12-25(23,24)20-10-9-18(13-20)14-21(17(22)11-19(18)3)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3
InChIKeyPGFIAWLNTCUAJL-UHFFFAOYSA-N
XLogP1.40
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (CID 131649005) is 6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is CC(C)CS(=O)(=O)N1CCC2(CN(c3ccccc3)C(=O)CN2C)C1.
What is the InChIKey of 6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is PGFIAWLNTCUAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-15(2)12-25(23,24)20-10-9-18(13-20)14-21(17(22)11-19(18)3)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3.
What are the key properties of 6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 365.50 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropylsulfonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131649005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).