2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane

C16H22FNO4S — CID 91915839

IUPAC2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2cccc(F)c2)CC12CCOCC2
InChIInChI=1S/C16H22FNO4S/c1-21-11-13-10-18(12-16(13)5-7-22-8-6-16)23(19,20)15-4-2-3-14(17)9-15/h2-4,9,13H,5-8,10-12H2,1H3
InChIKeyDKAWQLHVIIXDKR-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.89
Rot. Bonds4

About 2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane

2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane (PubChem CID 91915839) has the molecular formula C16H22FNO4S and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane
PubChem CID91915839
Molecular FormulaC16H22FNO4S
Molecular Weight343.42 g/mol
Exact Mass343.13
IUPAC Name2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2cccc(F)c2)CC12CCOCC2
InChIInChI=1S/C16H22FNO4S/c1-21-11-13-10-18(12-16(13)5-7-22-8-6-16)23(19,20)15-4-2-3-14(17)9-15/h2-4,9,13H,5-8,10-12H2,1H3
InChIKeyDKAWQLHVIIXDKR-UHFFFAOYSA-N
XLogP1.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane (CID 91915839) is 2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane is COCC1CN(S(=O)(=O)c2cccc(F)c2)CC12CCOCC2.
What is the InChIKey of 2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is DKAWQLHVIIXDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4S/c1-21-11-13-10-18(12-16(13)5-7-22-8-6-16)23(19,20)15-4-2-3-14(17)9-15/h2-4,9,13H,5-8,10-12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane?
2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 343.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 91915839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).