4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide

C9H16FNO2S — CID 71306082

IUPAC4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide
SMILESO=S1(=O)CCC(CF)C12CCNCC2
InChIInChI=1S/C9H16FNO2S/c10-7-8-1-6-14(12,13)9(8)2-4-11-5-3-9/h8,11H,1-7H2
InChIKeySQSRTOCEPJZDSV-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.51
Rot. Bonds1

About 4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide

4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide (PubChem CID 71306082) has the molecular formula C9H16FNO2S and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide.

Molecular Properties

Compound Name4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide
PubChem CID71306082
Molecular FormulaC9H16FNO2S
Molecular Weight221.30 g/mol
Exact Mass221.09
IUPAC Name4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide
SMILESO=S1(=O)CCC(CF)C12CCNCC2
InChIInChI=1S/C9H16FNO2S/c10-7-8-1-6-14(12,13)9(8)2-4-11-5-3-9/h8,11H,1-7H2
InChIKeySQSRTOCEPJZDSV-UHFFFAOYSA-N
XLogP0.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide?
The IUPAC name of 4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide (CID 71306082) is 4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide.
What is the SMILES notation for 4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide?
The canonical SMILES for 4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide is O=S1(=O)CCC(CF)C12CCNCC2.
What is the InChIKey of 4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide?
The InChIKey is SQSRTOCEPJZDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2S/c10-7-8-1-6-14(12,13)9(8)2-4-11-5-3-9/h8,11H,1-7H2.
What are the key properties of 4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide?
4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide has a molecular weight of 221.30 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide is sourced from PubChem (CID 71306082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).