1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone

C16H21FN2O4S — CID 134068984

IUPAC1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESCC(=O)N1CCOC2(CCCN(S(=O)(=O)c3ccccc3F)C2)C1
InChIInChI=1S/C16H21FN2O4S/c1-13(20)18-9-10-23-16(11-18)7-4-8-19(12-16)24(21,22)15-6-3-2-5-14(15)17/h2-3,5-6H,4,7-12H2,1H3
InChIKeyKNFDPFGTDDWKPW-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.23
Rot. Bonds2

About 1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone

1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone (PubChem CID 134068984) has the molecular formula C16H21FN2O4S and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone.

Molecular Properties

Compound Name1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
PubChem CID134068984
Molecular FormulaC16H21FN2O4S
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESCC(=O)N1CCOC2(CCCN(S(=O)(=O)c3ccccc3F)C2)C1
InChIInChI=1S/C16H21FN2O4S/c1-13(20)18-9-10-23-16(11-18)7-4-8-19(12-16)24(21,22)15-6-3-2-5-14(15)17/h2-3,5-6H,4,7-12H2,1H3
InChIKeyKNFDPFGTDDWKPW-UHFFFAOYSA-N
XLogP1.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone with MolForge

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Related Compounds

N,N-diethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 92463235
US10858373, Example 1
CID 135238382
US10858373, Example 2
CID 135238398
Morpholino[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 802533
{1-[(4-Fluorophenyl)sulfonyl]piperidin-3-yl}(morpholin-4-yl)methanone
CID 6488366
2-{4-[(4-Fluorophenyl)sulfonyl]piperazino}-1-morpholino-1-ethanone
CID 2815597
1-[(4-fluorophenyl)sulfonyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 6462628
[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 1327341
(2,6-Dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 6458429
1-[7-(3-Fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3,3-dimethylbutan-1-one
CID 53164944
1-{7-[(3-Fluorophenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}-2-methoxy-1-ethanone
CID 53164948
3-[1-(2-Fluorobenzenesulfonyl)piperidin-4-YL]-N-[3-(morpholin-4-YL)propyl]propanamide
CID 91903778

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The IUPAC name of 1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone (CID 134068984) is 1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone.
What is the SMILES notation for 1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The canonical SMILES for 1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone is CC(=O)N1CCOC2(CCCN(S(=O)(=O)c3ccccc3F)C2)C1.
What is the InChIKey of 1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The InChIKey is KNFDPFGTDDWKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4S/c1-13(20)18-9-10-23-16(11-18)7-4-8-19(12-16)24(21,22)15-6-3-2-5-14(15)17/h2-3,5-6H,4,7-12H2,1H3.
What are the key properties of 1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone has a molecular weight of 356.42 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone is sourced from PubChem (CID 134068984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).