8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one

C8H15N3O3S — CID 171352815

IUPAC8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCS(=O)(=O)N1CCC2(CC1)NCC(=O)N2
InChIInChI=1S/C8H15N3O3S/c1-15(13,14)11-4-2-8(3-5-11)9-6-7(12)10-8/h9H,2-6H2,1H3,(H,10,12)
InChIKeyDCIXOMUQOQJEHM-UHFFFAOYSA-N
MW233.29 g/mol
LogP-1.54
Rot. Bonds1

About 8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one

8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 171352815) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID171352815
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCS(=O)(=O)N1CCC2(CC1)NCC(=O)N2
InChIInChI=1S/C8H15N3O3S/c1-15(13,14)11-4-2-8(3-5-11)9-6-7(12)10-8/h9H,2-6H2,1H3,(H,10,12)
InChIKeyDCIXOMUQOQJEHM-UHFFFAOYSA-N
XLogP-1.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one (CID 171352815) is 8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one is CS(=O)(=O)N1CCC2(CC1)NCC(=O)N2.
What is the InChIKey of 8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is DCIXOMUQOQJEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-15(13,14)11-4-2-8(3-5-11)9-6-7(12)10-8/h9H,2-6H2,1H3,(H,10,12).
What are the key properties of 8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one?
8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 233.29 g/mol, XLogP of -1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 171352815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).