7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene

C18H24F3NO2S — CID 168907013

IUPAC7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1.O=S1(=O)CC2(CCN(C3CCCC3)C2)C1
InChIInChI=1S/C11H19NO2S.C7H5F3/c13-15(14)8-11(9-15)5-6-12(7-11)10-3-1-2-4-10;8-7(9,10)6-4-2-1-3-5-6/h10H,1-9H2;1-5H
InChIKeyCIPPKSOYGXUWLG-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.75
Rot. Bonds1

About 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene

7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene (PubChem CID 168907013) has the molecular formula C18H24F3NO2S and a molecular weight of 375.46 g/mol. Its IUPAC name is 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene.

Molecular Properties

Compound Name7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene
PubChem CID168907013
Molecular FormulaC18H24F3NO2S
Molecular Weight375.46 g/mol
Exact Mass375.15
IUPAC Name7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1.O=S1(=O)CC2(CCN(C3CCCC3)C2)C1
InChIInChI=1S/C11H19NO2S.C7H5F3/c13-15(14)8-11(9-15)5-6-12(7-11)10-3-1-2-4-10;8-7(9,10)6-4-2-1-3-5-6/h10H,1-9H2;1-5H
InChIKeyCIPPKSOYGXUWLG-UHFFFAOYSA-N
XLogP3.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene?
The IUPAC name of 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene (CID 168907013) is 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene.
What is the SMILES notation for 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene?
The canonical SMILES for 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene is FC(F)(F)c1ccccc1.O=S1(=O)CC2(CCN(C3CCCC3)C2)C1.
What is the InChIKey of 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene?
The InChIKey is CIPPKSOYGXUWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S.C7H5F3/c13-15(14)8-11(9-15)5-6-12(7-11)10-3-1-2-4-10;8-7(9,10)6-4-2-1-3-5-6/h10H,1-9H2;1-5H.
What are the key properties of 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene?
7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene has a molecular weight of 375.46 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;trifluoromethylbenzene is sourced from PubChem (CID 168907013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).