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

C9H15F2NO2S — CID 71306011

IUPAC4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide
SMILESO=S1(=O)CCC(C(F)F)C12CCNCC2
InChIInChI=1S/C9H15F2NO2S/c10-8(11)7-1-6-15(13,14)9(7)2-4-12-5-3-9/h7-8,12H,1-6H2
InChIKeyJNQYVISBKDWWBH-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.81
Rot. Bonds1

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

4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide (PubChem CID 71306011) has the molecular formula C9H15F2NO2S and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide.

Molecular Properties

Compound Name4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide
PubChem CID71306011
Molecular FormulaC9H15F2NO2S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Name4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide
SMILESO=S1(=O)CCC(C(F)F)C12CCNCC2
InChIInChI=1S/C9H15F2NO2S/c10-8(11)7-1-6-15(13,14)9(7)2-4-12-5-3-9/h7-8,12H,1-6H2
InChIKeyJNQYVISBKDWWBH-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thia-7-azaspiro[4.5]decane 2,2-dioxide
CID 64221619
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
3-(Trifluoromethylsulfonylmethyl)piperidine
CID 157475885
3-(2,2,2-Trifluoroethylsulfonylmethyl)piperidine
CID 160563827
3-Butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
CID 167269058
1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 55158734
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 55160850
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62987551
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 63162770
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755080
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758198
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759506

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide?
The IUPAC name of 4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide (CID 71306011) is 4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide.
What is the SMILES notation for 4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide?
The canonical SMILES for 4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide is O=S1(=O)CCC(C(F)F)C12CCNCC2.
What is the InChIKey of 4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide?
The InChIKey is JNQYVISBKDWWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2S/c10-8(11)7-1-6-15(13,14)9(7)2-4-12-5-3-9/h7-8,12H,1-6H2.
What are the key properties of 4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide?
4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide has a molecular weight of 239.29 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1λ6-thia-8-azaspiro[4.5]decane 1,1-dioxide is sourced from PubChem (CID 71306011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).