7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

C15H17F3N2O3S — CID 72903173

IUPAC7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(S(=O)(=O)c3ccc(F)c(F)c3F)C2)C1=O
InChIInChI=1S/C15H17F3N2O3S/c1-19-7-2-5-15(14(19)21)6-8-20(9-15)24(22,23)11-4-3-10(16)12(17)13(11)18/h3-4H,2,5-9H2,1H3
InChIKeyFGVOQEVIAKMDJO-UHFFFAOYSA-N
MW362.37 g/mol
LogP1.74
Rot. Bonds2

About 7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72903173) has the molecular formula C15H17F3N2O3S and a molecular weight of 362.37 g/mol. Its IUPAC name is 7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72903173
Molecular FormulaC15H17F3N2O3S
Molecular Weight362.37 g/mol
Exact Mass362.09
IUPAC Name7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(S(=O)(=O)c3ccc(F)c(F)c3F)C2)C1=O
InChIInChI=1S/C15H17F3N2O3S/c1-19-7-2-5-15(14(19)21)6-8-20(9-15)24(22,23)11-4-3-10(16)12(17)13(11)18/h3-4H,2,5-9H2,1H3
InChIKeyFGVOQEVIAKMDJO-UHFFFAOYSA-N
XLogP1.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one (CID 72903173) is 7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(S(=O)(=O)c3ccc(F)c(F)c3F)C2)C1=O.
What is the InChIKey of 7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FGVOQEVIAKMDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3S/c1-19-7-2-5-15(14(19)21)6-8-20(9-15)24(22,23)11-4-3-10(16)12(17)13(11)18/h3-4H,2,5-9H2,1H3.
What are the key properties of 7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 362.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2,3,4-trifluorophenyl)sulfonyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72903173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).