(4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane

C17H24FNO4S — CID 135104842

IUPAC(4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)cc1F
InChIInChI=1S/C17H24FNO4S/c1-22-15-7-6-13(11-14(15)18)24(20,21)19-10-4-9-17(12-19)8-3-5-16(17)23-2/h6-7,11,16H,3-5,8-10,12H2,1-2H3/t16-,17-/m1/s1
InChIKeyCOQOFKFNWBERGX-IAGOWNOFSA-N
MW357.45 g/mol
LogP2.80
Rot. Bonds4

About (4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane

(4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane (PubChem CID 135104842) has the molecular formula C17H24FNO4S and a molecular weight of 357.45 g/mol. Its IUPAC name is (4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
PubChem CID135104842
Molecular FormulaC17H24FNO4S
Molecular Weight357.45 g/mol
Exact Mass357.14
IUPAC Name(4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)cc1F
InChIInChI=1S/C17H24FNO4S/c1-22-15-7-6-13(11-14(15)18)24(20,21)19-10-4-9-17(12-19)8-3-5-16(17)23-2/h6-7,11,16H,3-5,8-10,12H2,1-2H3/t16-,17-/m1/s1
InChIKeyCOQOFKFNWBERGX-IAGOWNOFSA-N
XLogP2.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane
CID 135108128
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
(5S)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97143902
8-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[5.5]undec-3-en-1-one
CID 110223837
(4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
CID 135108992
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidine-3-carboxylic acid
CID 81127690
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 110818979
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]-4-methylbenzoic acid
CID 135107118
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
4-chloro-3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]benzoic acid
CID 135113090
(4R,5S)-7-(3-chloro-4-fluorophenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol
CID 135101982
6-[8-(3-fluoro-4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 169144180

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane?
The IUPAC name of (4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane (CID 135104842) is (4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane?
The canonical SMILES for (4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane is COc1ccc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)cc1F.
What is the InChIKey of (4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane?
The InChIKey is COQOFKFNWBERGX-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H24FNO4S/c1-22-15-7-6-13(11-14(15)18)24(20,21)19-10-4-9-17(12-19)8-3-5-16(17)23-2/h6-7,11,16H,3-5,8-10,12H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane?
(4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane has a molecular weight of 357.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane is sourced from PubChem (CID 135104842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).