6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid

C14H20N2O2S — CID 166716786

IUPAC6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid
SMILESO=S(O)c1cccc(N2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C14H20N2O2S/c17-19(18)13-5-3-4-12(15-13)16-10-8-14(9-11-16)6-1-2-7-14/h3-5H,1-2,6-11H2,(H,17,18)
InChIKeyZEBUQIYZKVGOOU-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.82
Rot. Bonds2

About 6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid

6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid (PubChem CID 166716786) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid.

Molecular Properties

Compound Name6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid
PubChem CID166716786
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid
SMILESO=S(O)c1cccc(N2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C14H20N2O2S/c17-19(18)13-5-3-4-12(15-13)16-10-8-14(9-11-16)6-1-2-7-14/h3-5H,1-2,6-11H2,(H,17,18)
InChIKeyZEBUQIYZKVGOOU-UHFFFAOYSA-N
XLogP2.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid
CID 122057283
[6-(8-azaspiro[4.5]decan-8-yl)-3-chloro-2-pyridinyl]methanamine
CID 55158910
6-(4,4-dimethylazepan-1-yl)pyridine-2-carboxylic acid
CID 65283066
6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid
CID 122051945
8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane
CID 66233219
2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70755226
1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone
CID 169266288
2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 134073864
6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one
CID 167254254
1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol
CID 107408996
8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane
CID 106767758
1-(6-fluoro-2-pyridinyl)-4-methylazepan-4-ol
CID 107405831

Frequently Asked Questions

What is the IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid?
The IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid (CID 166716786) is 6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid.
What is the SMILES notation for 6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid?
The canonical SMILES for 6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid is O=S(O)c1cccc(N2CCC3(CCCC3)CC2)n1.
What is the InChIKey of 6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid?
The InChIKey is ZEBUQIYZKVGOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-19(18)13-5-3-4-12(15-13)16-10-8-14(9-11-16)6-1-2-7-14/h3-5H,1-2,6-11H2,(H,17,18).
What are the key properties of 6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid?
6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid has a molecular weight of 280.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid is sourced from PubChem (CID 166716786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).