(4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide

C10H18FNO2S — CID 97112194

IUPAC(4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide
SMILESO=S1(=O)CC[C@@H](CF)[C@@]12CCCNCC2
InChIInChI=1S/C10H18FNO2S/c11-8-9-2-7-15(13,14)10(9)3-1-5-12-6-4-10/h9,12H,1-8H2/t9-,10-/m0/s1
InChIKeySPDNMGZPUJEBJQ-UWVGGRQHSA-N
MW235.32 g/mol
LogP0.90
Rot. Bonds1

About (4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide

(4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide (PubChem CID 97112194) has the molecular formula C10H18FNO2S and a molecular weight of 235.32 g/mol. Its IUPAC name is (4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide.

Molecular Properties

Compound Name(4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide
PubChem CID97112194
Molecular FormulaC10H18FNO2S
Molecular Weight235.32 g/mol
Exact Mass235.10
IUPAC Name(4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide
SMILESO=S1(=O)CC[C@@H](CF)[C@@]12CCCNCC2
InChIInChI=1S/C10H18FNO2S/c11-8-9-2-7-15(13,14)10(9)3-1-5-12-6-4-10/h9,12H,1-8H2/t9-,10-/m0/s1
InChIKeySPDNMGZPUJEBJQ-UWVGGRQHSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Difluoromethyl)-1lambda6-thia-9-azaspiro[4.6]undecane 1,1-dioxide
CID 71305913
4-(Fluoromethyl)-1lambda6-thia-9-azaspiro[4.6]undecane 1,1-dioxide
CID 71306023
4-(Difluoromethyl)-1-thia-9-azaspiro[4.6]undecane
CID 71306081
4-(Fluoromethyl)-1lambda~6~-thia-8-azaspiro[4.5]decane-1,1-dione
CID 71306082
4-(Fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 71306124
4-(Fluoromethyl)-1-thia-9-azaspiro[4.6]undecane
CID 71306131
4-Fluoro-4-(methylsulfonylmethyl)azepane
CID 84677097
(4S,5S)-4-(difluoromethyl)-1-thia-9-azaspiro[4.6]undecane
CID 97112274
(4R,5S)-4-(difluoromethyl)-1-thia-9-azaspiro[4.6]undecane
CID 97112278
(4S,5R)-4-(fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112361
(4S,5S)-4-(fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112362
(4R,5R)-4-(fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112363

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide?
The IUPAC name of (4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide (CID 97112194) is (4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide.
What is the SMILES notation for (4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide?
The canonical SMILES for (4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide is O=S1(=O)CC[C@@H](CF)[C@@]12CCCNCC2.
What is the InChIKey of (4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide?
The InChIKey is SPDNMGZPUJEBJQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18FNO2S/c11-8-9-2-7-15(13,14)10(9)3-1-5-12-6-4-10/h9,12H,1-8H2/t9-,10-/m0/s1.
What are the key properties of (4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide?
(4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide has a molecular weight of 235.32 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(fluoromethyl)-1λ6-thia-9-azaspiro[4.6]undecane 1,1-dioxide is sourced from PubChem (CID 97112194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).