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

C18H24F3NO2S — CID 168907561

IUPAC2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
SMILESC[C@H](Cc1ccc(C(F)(F)F)cc1)CN1CC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C18H24F3NO2S/c1-14(10-15-2-4-16(5-3-15)18(19,20)21)11-22-12-17(13-22)6-8-25(23,24)9-7-17/h2-5,14H,6-13H2,1H3/t14-/m1/s1
InChIKeyURWIDYIEHOGNLF-CQSZACIVSA-N
MW375.46 g/mol
LogP3.39
Rot. Bonds4

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

2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide (PubChem CID 168907561) has the molecular formula C18H24F3NO2S and a molecular weight of 375.46 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide.

Molecular Properties

Compound Name2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
PubChem CID168907561
Molecular FormulaC18H24F3NO2S
Molecular Weight375.46 g/mol
Exact Mass375.15
IUPAC Name2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
SMILESC[C@H](Cc1ccc(C(F)(F)F)cc1)CN1CC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C18H24F3NO2S/c1-14(10-15-2-4-16(5-3-15)18(19,20)21)11-22-12-17(13-22)6-8-25(23,24)9-7-17/h2-5,14H,6-13H2,1H3/t14-/m1/s1
InChIKeyURWIDYIEHOGNLF-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 2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide with MolForge

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Related Compounds

3-Methyl-4-[3-[4-(trifluoromethyl)phenyl]propyl]-1,4-thiazinane 1,1-dioxide
CID 71979084
US20240398781, Example 1D
CID 168906971
US20240398781, Example 1C
CID 168907086
US20240398781, Example 70A
CID 168907119
US20240398781, Example 1A
CID 168907121
US20240398781, Example 77A
CID 168907160
US20240398781, Example 3A
CID 168907187
US20240398781, Example 1B
CID 168907249
US20240400579, Example 128A
CID 168907384
US20240400579, Example 212B
CID 168907413
US20240400579, Example 216A
CID 168907482
US20240400579, Example 216B
CID 168907498

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
The IUPAC name of 2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide (CID 168907561) is 2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide.
What is the SMILES notation for 2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
The canonical SMILES for 2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide is C[C@H](Cc1ccc(C(F)(F)F)cc1)CN1CC2(CCS(=O)(=O)CC2)C1.
What is the InChIKey of 2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
The InChIKey is URWIDYIEHOGNLF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24F3NO2S/c1-14(10-15-2-4-16(5-3-15)18(19,20)21)11-22-12-17(13-22)6-8-25(23,24)9-7-17/h2-5,14H,6-13H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide?
2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-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 2-[(2R)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]-7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide is sourced from PubChem (CID 168907561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).