1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one

C17H23FN2O3S — CID 97450558

IUPAC1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one
SMILESCS(=O)(=O)N1CCC2(CCCC(=O)N2Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H23FN2O3S/c1-24(22,23)19-10-8-17(9-11-19)7-3-6-16(21)20(17)13-14-4-2-5-15(18)12-14/h2,4-5,12H,3,6-11,13H2,1H3
InChIKeyINACKIUSIGNCHU-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.13
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one

1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 97450558) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID97450558
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one
SMILESCS(=O)(=O)N1CCC2(CCCC(=O)N2Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H23FN2O3S/c1-24(22,23)19-10-8-17(9-11-19)7-3-6-16(21)20(17)13-14-4-2-5-15(18)12-14/h2,4-5,12H,3,6-11,13H2,1H3
InChIKeyINACKIUSIGNCHU-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97450559
1-[(3-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450556
(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485089
1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131663162
(5R)-2-[(3-fluorophenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451647
9-[(3-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131682811
8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131691598
9-[(3-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681387
[1-[(3-fluorophenyl)methyl]-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97397475
1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131691590
N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
CID 71784608
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one (CID 97450558) is 1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one is CS(=O)(=O)N1CCC2(CCCC(=O)N2Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is INACKIUSIGNCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-24(22,23)19-10-8-17(9-11-19)7-3-6-16(21)20(17)13-14-4-2-5-15(18)12-14/h2,4-5,12H,3,6-11,13H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one?
1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-9-methylsulfonyl-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97450558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).