8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane

C15H18F3NO3S2 — CID 71796861

IUPAC8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C15H18F3NO3S2/c16-15(17,18)13-3-1-12(2-4-13)11-24(20,21)19-7-5-14(6-8-19)22-9-10-23-14/h1-4H,5-11H2
InChIKeyHBGJGLIVELVCNS-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.09
Rot. Bonds3

About 8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane

8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 71796861) has the molecular formula C15H18F3NO3S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID71796861
Molecular FormulaC15H18F3NO3S2
Molecular Weight381.44 g/mol
Exact Mass381.07
IUPAC Name8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C15H18F3NO3S2/c16-15(17,18)13-3-1-12(2-4-13)11-24(20,21)19-7-5-14(6-8-19)22-9-10-23-14/h1-4H,5-11H2
InChIKeyHBGJGLIVELVCNS-UHFFFAOYSA-N
XLogP3.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 71796861) is 8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)OCCS2.
What is the InChIKey of 8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is HBGJGLIVELVCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3S2/c16-15(17,18)13-3-1-12(2-4-13)11-24(20,21)19-7-5-14(6-8-19)22-9-10-23-14/h1-4H,5-11H2.
What are the key properties of 8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane has a molecular weight of 381.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(trifluoromethyl)phenyl]methylsulfonyl]-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 71796861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).