2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C17H23FN2O3S — CID 72892755

IUPAC2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1=O
InChIInChI=1S/C17H23FN2O3S/c1-13(2)20-9-4-7-17(16(20)21)8-10-19(12-17)24(22,23)15-6-3-5-14(18)11-15/h3,5-6,11,13H,4,7-10,12H2,1-2H3
InChIKeyFMRWLYKTPRHRDI-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.24
Rot. Bonds3

About 2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72892755) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72892755
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1=O
InChIInChI=1S/C17H23FN2O3S/c1-13(2)20-9-4-7-17(16(20)21)8-10-19(12-17)24(22,23)15-6-3-5-14(18)11-15/h3,5-6,11,13H,4,7-10,12H2,1-2H3
InChIKeyFMRWLYKTPRHRDI-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72892755) is 2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCCC2(CCN(S(=O)(=O)c3cccc(F)c3)C2)C1=O.
What is the InChIKey of 2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FMRWLYKTPRHRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-13(2)20-9-4-7-17(16(20)21)8-10-19(12-17)24(22,23)15-6-3-5-14(18)11-15/h3,5-6,11,13H,4,7-10,12H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 354.45 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72892755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).