8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane

C19H25FN2O4S — CID 169144154

IUPAC8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)CC(N1CC3(COC3)C1)CO2
InChIInChI=1S/C19H25FN2O4S/c20-15-1-3-17(4-2-15)27(23,24)22-7-5-19(6-8-22)9-16(10-26-19)21-11-18(12-21)13-25-14-18/h1-4,16H,5-14H2
InChIKeyCEWQGAUTEMHNTO-UHFFFAOYSA-N
MW396.48 g/mol
LogP1.47
Rot. Bonds3

About 8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane

8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 169144154) has the molecular formula C19H25FN2O4S and a molecular weight of 396.48 g/mol. Its IUPAC name is 8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID169144154
Molecular FormulaC19H25FN2O4S
Molecular Weight396.48 g/mol
Exact Mass396.15
IUPAC Name8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)CC(N1CC3(COC3)C1)CO2
InChIInChI=1S/C19H25FN2O4S/c20-15-1-3-17(4-2-15)27(23,24)22-7-5-19(6-8-22)9-16(10-26-19)21-11-18(12-21)13-25-14-18/h1-4,16H,5-14H2
InChIKeyCEWQGAUTEMHNTO-UHFFFAOYSA-N
XLogP1.47
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane
CID 169143938
8-(2-chloro-4-methylphenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169143945
(3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97450586
8-[(2-methoxy-5-methyl-3-pyridinyl)sulfonyl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 169143978
6-[8-(3-fluoro-4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 169144180
7-(4-fluorophenyl)sulfonyl-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155854814
(3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(3R)-3-(2-methoxyethyl)-3-methylpyrrolidin-1-yl]-1-oxa-8-azaspiro[4.5]decane
CID 170119805
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
(3S,5R)-7-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124520610
3-(4-fluorophenyl)sulfonyl-11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 155902760
8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91802635
2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
CID 118386146

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane (CID 169144154) is 8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane is O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)CC(N1CC3(COC3)C1)CO2.
What is the InChIKey of 8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is CEWQGAUTEMHNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4S/c20-15-1-3-17(4-2-15)27(23,24)22-7-5-19(6-8-22)9-16(10-26-19)21-11-18(12-21)13-25-14-18/h1-4,16H,5-14H2.
What are the key properties of 8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane?
8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 396.48 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)sulfonyl-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 169144154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).