7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

C16H21F3N2O3S — CID 168907571

IUPAC7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESC[C@@H](CN1CCC2(CC1)CS(=O)(=O)C2)Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H21F3N2O3S/c1-12(24-13-2-3-14(20-8-13)16(17,18)19)9-21-6-4-15(5-7-21)10-25(22,23)11-15/h2-3,8,12H,4-7,9-11H2,1H3/t12-/m0/s1
InChIKeyXRDXRQWJODKKCV-LBPRGKRZSA-N
MW378.42 g/mol
LogP2.38
Rot. Bonds4

About 7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (PubChem CID 168907571) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is 7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.

Molecular Properties

Compound Name7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
PubChem CID168907571
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC Name7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESC[C@@H](CN1CCC2(CC1)CS(=O)(=O)C2)Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H21F3N2O3S/c1-12(24-13-2-3-14(20-8-13)16(17,18)19)9-21-6-4-15(5-7-21)10-25(22,23)11-15/h2-3,8,12H,4-7,9-11H2,1H3/t12-/m0/s1
InChIKeyXRDXRQWJODKKCV-LBPRGKRZSA-N
XLogP2.38
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The IUPAC name of 7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (CID 168907571) is 7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.
What is the SMILES notation for 7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The canonical SMILES for 7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is C[C@@H](CN1CCC2(CC1)CS(=O)(=O)C2)Oc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The InChIKey is XRDXRQWJODKKCV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21F3N2O3S/c1-12(24-13-2-3-14(20-8-13)16(17,18)19)9-21-6-4-15(5-7-21)10-25(22,23)11-15/h2-3,8,12H,4-7,9-11H2,1H3/t12-/m0/s1.
What are the key properties of 7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide has a molecular weight of 378.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is sourced from PubChem (CID 168907571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).