7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

C18H24F3NO2S — CID 168907498

IUPAC7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESC[C@H](Cc1ccc(C(F)(F)F)cc1)CN1CCC2(CC1)CS(=O)(=O)C2
InChIInChI=1S/C18H24F3NO2S/c1-14(10-15-2-4-16(5-3-15)18(19,20)21)11-22-8-6-17(7-9-22)12-25(23,24)13-17/h2-5,14H,6-13H2,1H3/t14-/m1/s1
InChIKeyLEYSDGDCXLAANR-CQSZACIVSA-N
MW375.46 g/mol
LogP3.39
Rot. Bonds4

About 7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (PubChem CID 168907498) has the molecular formula C18H24F3NO2S and a molecular weight of 375.46 g/mol. Its IUPAC name is 7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.

Molecular Properties

Compound Name7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
PubChem CID168907498
Molecular FormulaC18H24F3NO2S
Molecular Weight375.46 g/mol
Exact Mass375.15
IUPAC Name7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESC[C@H](Cc1ccc(C(F)(F)F)cc1)CN1CCC2(CC1)CS(=O)(=O)C2
InChIInChI=1S/C18H24F3NO2S/c1-14(10-15-2-4-16(5-3-15)18(19,20)21)11-22-8-6-17(7-9-22)12-25(23,24)13-17/h2-5,14H,6-13H2,1H3/t14-/m1/s1
InChIKeyLEYSDGDCXLAANR-CQSZACIVSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide with MolForge

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Related Compounds

7-[(2S)-2-fluoro-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907503
(5R)-7-[(2R)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]-2λ6-thia-7-azaspiro[4.4]nonane 2,2-dioxide
CID 168907410
7-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907683
7-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907431
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4,4-dimethoxypiperidine
CID 70600222
7-[[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]methyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907572
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine
CID 13251981
4-[2-chloro-4-[(2S)-3-(2,2-dioxo-2λ6-thia-7-azaspiro[3.4]octan-7-yl)-2-methylpropyl]phenyl]cyclohexan-1-one
CID 168907415
8-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155849856
4-[2-chloro-4-[(2S)-3-(2,2-dioxo-2λ6-thia-7-azaspiro[3.4]octan-7-yl)-2-methylpropyl]phenyl]-1-methylcyclohexan-1-ol
CID 168907588
7-[(2R)-2-(3,4-difluorophenoxy)propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907559
7-[(2S)-3-[3-chloro-4-(oxan-2-yl)phenyl]-2-methylpropyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 172535059

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The IUPAC name of 7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (CID 168907498) is 7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.
What is the SMILES notation for 7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The canonical SMILES for 7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is C[C@H](Cc1ccc(C(F)(F)F)cc1)CN1CCC2(CC1)CS(=O)(=O)C2.
What is the InChIKey of 7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The InChIKey is LEYSDGDCXLAANR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24F3NO2S/c1-14(10-15-2-4-16(5-3-15)18(19,20)21)11-22-8-6-17(7-9-22)12-25(23,24)13-17/h2-5,14H,6-13H2,1H3/t14-/m1/s1.
What are the key properties of 7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide has a molecular weight of 375.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is sourced from PubChem (CID 168907498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).