N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide

C17H23FN2O5S — CID 113150950

IUPACN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1F
InChIInChI=1S/C17H23FN2O5S/c1-26(22,23)20(12-14-4-2-3-5-15(14)18)13-16(21)19-8-6-17(7-9-19)24-10-11-25-17/h2-5H,6-13H2,1H3
InChIKeySREDMWXUVZUZLV-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.95
Rot. Bonds5

About N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide

N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide (PubChem CID 113150950) has the molecular formula C17H23FN2O5S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
PubChem CID113150950
Molecular FormulaC17H23FN2O5S
Molecular Weight386.45 g/mol
Exact Mass386.13
IUPAC NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1F
InChIInChI=1S/C17H23FN2O5S/c1-26(22,23)20(12-14-4-2-3-5-15(14)18)13-16(21)19-8-6-17(7-9-19)24-10-11-25-17/h2-5H,6-13H2,1H3
InChIKeySREDMWXUVZUZLV-UHFFFAOYSA-N
XLogP0.95
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 113138786
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(2-fluorophenyl)methanesulfonamide
CID 113143438
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-phenylmethanesulfonamide
CID 113153646
N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide
CID 113138654
N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139188
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 113156420
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide
CID 113149281
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide
CID 113149469
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108964051
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113151179
N-(4-cyanophenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]methanesulfonamide
CID 113157389
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 113150299

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide (CID 113150950) is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1F.
What is the InChIKey of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The InChIKey is SREDMWXUVZUZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O5S/c1-26(22,23)20(12-14-4-2-3-5-15(14)18)13-16(21)19-8-6-17(7-9-19)24-10-11-25-17/h2-5H,6-13H2,1H3.
What are the key properties of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide?
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 113150950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).