(7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane

C16H18N2O2S — CID 124799097

IUPAC(7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
SMILESc1cncc(O[C@@H]2CSC3(C2)CN(Cc2ccco2)C3)c1
InChIInChI=1S/C16H18N2O2S/c1-3-13(8-17-5-1)20-15-7-16(21-10-15)11-18(12-16)9-14-4-2-6-19-14/h1-6,8,15H,7,9-12H2/t15-/m0/s1
InChIKeyNLYHRTDIMUAOJH-HNNXBMFYSA-N
MW302.40 g/mol
LogP2.81
Rot. Bonds4

About (7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane

(7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane (PubChem CID 124799097) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
PubChem CID124799097
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
SMILESc1cncc(O[C@@H]2CSC3(C2)CN(Cc2ccco2)C3)c1
InChIInChI=1S/C16H18N2O2S/c1-3-13(8-17-5-1)20-15-7-16(21-10-15)11-18(12-16)9-14-4-2-6-19-14/h1-6,8,15H,7,9-12H2/t15-/m0/s1
InChIKeyNLYHRTDIMUAOJH-HNNXBMFYSA-N
XLogP2.81
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131663105
2-(pyridin-4-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677717
(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124782365
2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677489
(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 124810447
2-[(1-propan-2-ylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 133140271
7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane
CID 133140244
(3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394419
(3S,5S)-9-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97488993
(7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane
CID 124779774
2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677492
7-pyridin-3-yloxy-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155824411

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of (7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane (CID 124799097) is (7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for (7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for (7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane is c1cncc(O[C@@H]2CSC3(C2)CN(Cc2ccco2)C3)c1.
What is the InChIKey of (7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
The InChIKey is NLYHRTDIMUAOJH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-13(8-17-5-1)20-15-7-16(21-10-15)11-18(12-16)9-14-4-2-6-19-14/h1-6,8,15H,7,9-12H2/t15-/m0/s1.
What are the key properties of (7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?
(7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane has a molecular weight of 302.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 124799097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).