7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

C15H18ClF3N2O3S — CID 168907714

IUPAC7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(CCOc3cnc(C(F)(F)F)c(Cl)c3)CC2)C1
InChIInChI=1S/C15H18ClF3N2O3S/c16-12-7-11(8-20-13(12)15(17,18)19)24-6-5-21-3-1-14(2-4-21)9-25(22,23)10-14/h7-8H,1-6,9-10H2
InChIKeyUMGFBJDCTPFXHU-UHFFFAOYSA-N
MW398.83 g/mol
LogP2.64
Rot. Bonds4

About 7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (PubChem CID 168907714) has the molecular formula C15H18ClF3N2O3S and a molecular weight of 398.83 g/mol. Its IUPAC name is 7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.

Molecular Properties

Compound Name7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
PubChem CID168907714
Molecular FormulaC15H18ClF3N2O3S
Molecular Weight398.83 g/mol
Exact Mass398.07
IUPAC Name7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(CCOc3cnc(C(F)(F)F)c(Cl)c3)CC2)C1
InChIInChI=1S/C15H18ClF3N2O3S/c16-12-7-11(8-20-13(12)15(17,18)19)24-6-5-21-3-1-14(2-4-21)9-25(22,23)10-14/h7-8H,1-6,9-10H2
InChIKeyUMGFBJDCTPFXHU-UHFFFAOYSA-N
XLogP2.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide with MolForge

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Related Compounds

CID 168907420
CID 168907420
CID 168907452
CID 168907452
CID 168907459
CID 168907459
CID 168907462
CID 168907462
CID 168907500
CID 168907500
CID 168907520
CID 168907520
CID 168907571
CID 168907571
CID 168907577
CID 168907577
CID 168907584
CID 168907584
CID 168907622
CID 168907622
CID 168907632
CID 168907632
CID 168907709
CID 168907709

Frequently Asked Questions

What is the IUPAC name of 7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The IUPAC name of 7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (CID 168907714) is 7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.
What is the SMILES notation for 7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The canonical SMILES for 7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is O=S1(=O)CC2(CCN(CCOc3cnc(C(F)(F)F)c(Cl)c3)CC2)C1.
What is the InChIKey of 7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The InChIKey is UMGFBJDCTPFXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O3S/c16-12-7-11(8-20-13(12)15(17,18)19)24-6-5-21-3-1-14(2-4-21)9-25(22,23)10-14/h7-8H,1-6,9-10H2.
What are the key properties of 7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide has a molecular weight of 398.83 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[[5-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is sourced from PubChem (CID 168907714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).