2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one

C16H21FN2O3S — CID 97472958

IUPAC2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCCCS(=O)(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C2=O
InChIInChI=1S/C16H21FN2O3S/c1-2-10-23(21,22)18-8-6-16(7-9-18)12-19(15(16)20)14-5-3-4-13(17)11-14/h3-5,11H,2,6-10,12H2,1H3
InChIKeyYQBDYRNGZVRXOF-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.99
Rot. Bonds4

About 2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one

2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 97472958) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID97472958
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCCCS(=O)(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C2=O
InChIInChI=1S/C16H21FN2O3S/c1-2-10-23(21,22)18-8-6-16(7-9-18)12-19(15(16)20)14-5-3-4-13(17)11-14/h3-5,11H,2,6-10,12H2,1H3
InChIKeyYQBDYRNGZVRXOF-UHFFFAOYSA-N
XLogP1.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-yl)-7-butylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97473004
2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 97473007
2-butylsulfonyl-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131642895
2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074477
3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide
CID 155873897
(5S)-7-[(3,4-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 42214003
(5R)-2-[(3-fluorophenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451647
7-[(3-fluorophenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472971
[(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide
CID 159176510
2-benzylsulfonyl-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131647756
(3-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798366
2-[(3,5-difluorophenyl)methyl]-8-propylsulfonyl-2,8-diazaspiro[4.5]decan-3-one
CID 72904883

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one (CID 97472958) is 2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one is CCCS(=O)(=O)N1CCC2(CC1)CN(c1cccc(F)c1)C2=O.
What is the InChIKey of 2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is YQBDYRNGZVRXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-2-10-23(21,22)18-8-6-16(7-9-18)12-19(15(16)20)14-5-3-4-13(17)11-14/h3-5,11H,2,6-10,12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one?
2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 340.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 97472958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).