8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid

C14H17FN2O5S — CID 167886340

IUPAC8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1COC2(CCN(S(=O)(=O)c3cncc(F)c3)CC2)C1
InChIInChI=1S/C14H17FN2O5S/c15-11-5-12(8-16-7-11)23(20,21)17-3-1-14(2-4-17)6-10(9-22-14)13(18)19/h5,7-8,10H,1-4,6,9H2,(H,18,19)
InChIKeyHPWPQTYIADFERG-UHFFFAOYSA-N
MW344.36 g/mol
LogP0.87
Rot. Bonds3

About 8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid

8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 167886340) has the molecular formula C14H17FN2O5S and a molecular weight of 344.36 g/mol. Its IUPAC name is 8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID167886340
Molecular FormulaC14H17FN2O5S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1COC2(CCN(S(=O)(=O)c3cncc(F)c3)CC2)C1
InChIInChI=1S/C14H17FN2O5S/c15-11-5-12(8-16-7-11)23(20,21)17-3-1-14(2-4-17)6-10(9-22-14)13(18)19/h5,7-8,10H,1-4,6,9H2,(H,18,19)
InChIKeyHPWPQTYIADFERG-UHFFFAOYSA-N
XLogP0.87
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-fluoro-3-pyridinyl)sulfonyl]morpholine
CID 62039673
2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid
CID 63876850
1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde
CID 63844852
2-[4-[(5-fluoro-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]acetic acid
CID 62824486
methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate
CID 78918761
1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine
CID 63764885
4-[(5-fluoro-3-pyridinyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66240680
8-(4-fluorophenyl)sulfonyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155852803
methyl (3S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 79032886
2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657845
(3R)-8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97450586
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048

Frequently Asked Questions

What is the IUPAC name of 8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid (CID 167886340) is 8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1COC2(CCN(S(=O)(=O)c3cncc(F)c3)CC2)C1.
What is the InChIKey of 8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is HPWPQTYIADFERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O5S/c15-11-5-12(8-16-7-11)23(20,21)17-3-1-14(2-4-17)6-10(9-22-14)13(18)19/h5,7-8,10H,1-4,6,9H2,(H,18,19).
What are the key properties of 8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid?
8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 344.36 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-fluoro-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 167886340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).