(5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol

C13H18N2O4S — CID 110159618

IUPAC(5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESO=S(=O)(c1cccnc1)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C13H18N2O4S/c16-12-10-15(7-5-13(12)4-2-8-19-13)20(17,18)11-3-1-6-14-9-11/h1,3,6,9,12,16H,2,4-5,7-8,10H2/t12-,13-/m0/s1
InChIKeyPWGMSRIAPQZTRF-STQMWFEESA-N
MW298.36 g/mol
LogP0.39
Rot. Bonds2

About (5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol

(5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol (PubChem CID 110159618) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is (5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol
PubChem CID110159618
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name(5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESO=S(=O)(c1cccnc1)N1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C13H18N2O4S/c16-12-10-15(7-5-13(12)4-2-8-19-13)20(17,18)11-3-1-6-14-9-11/h1,3,6,9,12,16H,2,4-5,7-8,10H2/t12-,13-/m0/s1
InChIKeyPWGMSRIAPQZTRF-STQMWFEESA-N
XLogP0.39
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol?
The IUPAC name of (5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol (CID 110159618) is (5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol?
The canonical SMILES for (5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol is O=S(=O)(c1cccnc1)N1CC[C@@]2(CCCO2)[C@@H](O)C1.
What is the InChIKey of (5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol?
The InChIKey is PWGMSRIAPQZTRF-STQMWFEESA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-12-10-15(7-5-13(12)4-2-8-19-13)20(17,18)11-3-1-6-14-9-11/h1,3,6,9,12,16H,2,4-5,7-8,10H2/t12-,13-/m0/s1.
What are the key properties of (5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol?
(5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol has a molecular weight of 298.36 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol is sourced from PubChem (CID 110159618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).