4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide

C10H17F2NO2S — CID 71305913

IUPAC4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide
SMILESO=S1(=O)CCC(C(F)F)C12CCCNCC2
InChIInChI=1S/C10H17F2NO2S/c11-9(12)8-2-7-16(14,15)10(8)3-1-5-13-6-4-10/h8-9,13H,1-7H2
InChIKeyFMXJBZKLKQZIFO-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.20
Rot. Bonds1

About 4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide

4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide (PubChem CID 71305913) has the molecular formula C10H17F2NO2S and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide.

Molecular Properties

Compound Name4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide
PubChem CID71305913
Molecular FormulaC10H17F2NO2S
Molecular Weight253.31 g/mol
Exact Mass253.09
IUPAC Name4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide
SMILESO=S1(=O)CCC(C(F)F)C12CCCNCC2
InChIInChI=1S/C10H17F2NO2S/c11-9(12)8-2-7-16(14,15)10(8)3-1-5-13-6-4-10/h8-9,13H,1-7H2
InChIKeyFMXJBZKLKQZIFO-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[1,1,2,2,3,3-Hexafluoro-3-[3-(trifluoromethylsulfonyl)butylsulfonyl]propyl]sulfonylethyl]azepane
CID 123923134
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
8-(Trifluoromethyl)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]thiazepine 1,1-dioxide
CID 66218539
4-(Difluoromethyl)-1lambda6-thia-8-azaspiro[4.5]decane 1,1-dioxide
CID 71306011
4-(Fluoromethyl)-1lambda6-thia-9-azaspiro[4.6]undecane 1,1-dioxide
CID 71306023
4-(Difluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 71306075

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide?
The IUPAC name of 4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide (CID 71305913) is 4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide.
What is the SMILES notation for 4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide?
The canonical SMILES for 4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide is O=S1(=O)CCC(C(F)F)C12CCCNCC2.
What is the InChIKey of 4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide?
The InChIKey is FMXJBZKLKQZIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2S/c11-9(12)8-2-7-16(14,15)10(8)3-1-5-13-6-4-10/h8-9,13H,1-7H2.
What are the key properties of 4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide?
4-(difluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide has a molecular weight of 253.31 g/mol, XLogP of 1.20, 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-9-azaspiro[4.6]undecane 1,1-dioxide is sourced from PubChem (CID 71305913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).