4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C23H24F6N2O5S — CID 143985135

IUPAC4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC2(CC1)OCCN2CCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H24F6N2O5S/c24-22(25,26)35-18-4-1-3-17(15-18)7-10-30-13-14-34-21(30)8-11-31(12-9-21)37(32,33)20-6-2-5-19(16-20)36-23(27,28)29/h1-6,15-16H,7-14H2
InChIKeyAOZPBYDXJQEEKJ-UHFFFAOYSA-N
MW554.51 g/mol
LogP4.54
Rot. Bonds7

About 4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 143985135) has the molecular formula C23H24F6N2O5S and a molecular weight of 554.51 g/mol. Its IUPAC name is 4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID143985135
Molecular FormulaC23H24F6N2O5S
Molecular Weight554.51 g/mol
Exact Mass554.13
IUPAC Name4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC2(CC1)OCCN2CCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H24F6N2O5S/c24-22(25,26)35-18-4-1-3-17(15-18)7-10-30-13-14-34-21(30)8-11-31(12-9-21)37(32,33)20-6-2-5-19(16-20)36-23(27,28)29/h1-6,15-16H,7-14H2
InChIKeyAOZPBYDXJQEEKJ-UHFFFAOYSA-N
XLogP4.54
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.51
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[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

4,8-bis[[3-(trifluoromethoxy)phenyl]sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane;prop-1-ene
CID 144828064
4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
CID 59565045
(3S)-3-methyl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 104976476
N-(cyclopropylmethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987824
1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 167932774
8-[3-(trifluoromethoxy)phenyl]sulfonyl-2,8-diazaspiro[5.5]undecan-1-one
CID 54591453
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975025
3-methyl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine;hydrochloride
CID 119982212
(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol
CID 107225119
N-methyl-1-[(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine
CID 124686558
3-(3-methoxyphenyl)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]propan-1-one
CID 24559859

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 143985135) is 4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC2(CC1)OCCN2CCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is AOZPBYDXJQEEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2O5S/c24-22(25,26)35-18-4-1-3-17(15-18)7-10-30-13-14-34-21(30)8-11-31(12-9-21)37(32,33)20-6-2-5-19(16-20)36-23(27,28)29/h1-6,15-16H,7-14H2.
What are the key properties of 4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 554.51 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(trifluoromethoxy)phenyl]ethyl]-8-[3-(trifluoromethoxy)phenyl]sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 143985135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).