4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine

C21H32N2O4S — CID 170120954

IUPAC4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESCCOc1ccc(S(=O)(=O)N2CCC3(CCC(N4CCOCC4)C3)CC2)cc1
InChIInChI=1S/C21H32N2O4S/c1-2-27-19-3-5-20(6-4-19)28(24,25)23-11-9-21(10-12-23)8-7-18(17-21)22-13-15-26-16-14-22/h3-6,18H,2,7-17H2,1H3
InChIKeyKRPXKZKGGVEPID-UHFFFAOYSA-N
MW408.56 g/mol
LogP2.74
Rot. Bonds5

About 4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine

4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine (PubChem CID 170120954) has the molecular formula C21H32N2O4S and a molecular weight of 408.56 g/mol. Its IUPAC name is 4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine.

Molecular Properties

Compound Name4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine
PubChem CID170120954
Molecular FormulaC21H32N2O4S
Molecular Weight408.56 g/mol
Exact Mass408.21
IUPAC Name4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine
SMILESCCOc1ccc(S(=O)(=O)N2CCC3(CCC(N4CCOCC4)C3)CC2)cc1
InChIInChI=1S/C21H32N2O4S/c1-2-27-19-3-5-20(6-4-19)28(24,25)23-11-9-21(10-12-23)8-7-18(17-21)22-13-15-26-16-14-22/h3-6,18H,2,7-17H2,1H3
InChIKeyKRPXKZKGGVEPID-UHFFFAOYSA-N
XLogP2.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.56
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 87024749
3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740101
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 113074890
4-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 9333066
4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
CID 118314272
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947
methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823359
6-[8-(3-fluoro-4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 169144180
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24575278
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine?
The IUPAC name of 4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine (CID 170120954) is 4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine.
What is the SMILES notation for 4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine?
The canonical SMILES for 4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine is CCOc1ccc(S(=O)(=O)N2CCC3(CCC(N4CCOCC4)C3)CC2)cc1.
What is the InChIKey of 4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine?
The InChIKey is KRPXKZKGGVEPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4S/c1-2-27-19-3-5-20(6-4-19)28(24,25)23-11-9-21(10-12-23)8-7-18(17-21)22-13-15-26-16-14-22/h3-6,18H,2,7-17H2,1H3.
What are the key properties of 4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine?
4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine has a molecular weight of 408.56 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine is sourced from PubChem (CID 170120954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).