N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide

C17H25FN2O3S — CID 131663879

IUPACN-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1COCCC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C17H25FN2O3S/c1-24(21,22)19-16-13-23-11-8-17(16)6-9-20(10-7-17)12-14-2-4-15(18)5-3-14/h2-5,16,19H,6-13H2,1H3
InChIKeyCYXWJOIIBCWUGA-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.75
Rot. Bonds4

About N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide

N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide (PubChem CID 131663879) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
PubChem CID131663879
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC NameN-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1COCCC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C17H25FN2O3S/c1-24(21,22)19-16-13-23-11-8-17(16)6-9-20(10-7-17)12-14-2-4-15(18)5-3-14/h2-5,16,19H,6-13H2,1H3
InChIKeyCYXWJOIIBCWUGA-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-fluorophenyl)-2-morpholinoethyl)-2-phenylethanesulfonamide
CID 18589484
N-{2-[4-(2-fluorobenzyl)morpholin-2-yl]ethyl}methanesulfonamide
CID 56756954
N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide
CID 97364531
9-[(4-Fluorophenyl)methyl]-1-methylsulfonyl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97372209
N-[[(3S,3aR,7aR)-5-[(4-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 97459967
N-[[(3S,3aR,7aR)-5-[(3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 97459979
N-[9-[(2,5-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 133137059
N-[(1R)-1-[4-[[4-ethyl-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide
CID 89718524
N-[1-[4-[[4-ethyl-3-(2,2,2-trifluoroethoxy)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide
CID 123532715
N-[(3R,4S)-1-benzyl-3-(prop-2-enoxymethyl)piperidin-4-yl]-1,1,1-trifluoromethanesulfonamide
CID 170638639
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide
CID 30835982
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide
CID 30835984

Frequently Asked Questions

What is the IUPAC name of N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
The IUPAC name of N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide (CID 131663879) is N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide.
What is the SMILES notation for N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
The canonical SMILES for N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide is CS(=O)(=O)NC1COCCC12CCN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
The InChIKey is CYXWJOIIBCWUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-24(21,22)19-16-13-23-11-8-17(16)6-9-20(10-7-17)12-14-2-4-15(18)5-3-14/h2-5,16,19H,6-13H2,1H3.
What are the key properties of N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide has a molecular weight of 356.46 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide is sourced from PubChem (CID 131663879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).