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

C16H17N3O3S2 — CID 124779774

IUPAC(7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane
SMILESO=S(=O)(c1cccnc1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1
InChIInChI=1S/C16H17N3O3S2/c20-24(21,15-4-2-6-18-9-15)19-11-16(12-19)7-14(10-23-16)22-13-3-1-5-17-8-13/h1-6,8-9,14H,7,10-12H2/t14-/m0/s1
InChIKeyRYOAMEPOWYVVLK-AWEZNQCLSA-N
MW363.46 g/mol
LogP1.80
Rot. Bonds4

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

(7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane (PubChem CID 124779774) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane
PubChem CID124779774
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name(7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane
SMILESO=S(=O)(c1cccnc1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1
InChIInChI=1S/C16H17N3O3S2/c20-24(21,15-4-2-6-18-9-15)19-11-16(12-19)7-14(10-23-16)22-13-3-1-5-17-8-13/h1-6,8-9,14H,7,10-12H2/t14-/m0/s1
InChIKeyRYOAMEPOWYVVLK-AWEZNQCLSA-N
XLogP1.80
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane with MolForge

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Related Compounds

2-(benzenesulfonyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155831362
2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131662162
2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677489
7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane
CID 133140244
N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 155834661
pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131678193
2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124790921
2-(pyridin-4-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677717
(7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 124799097
2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131663105
2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124804618
2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124794959

Frequently Asked Questions

What is the IUPAC name of (7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of (7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane (CID 124779774) is (7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for (7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for (7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane is O=S(=O)(c1cccnc1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1.
What is the InChIKey of (7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane?
The InChIKey is RYOAMEPOWYVVLK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c20-24(21,15-4-2-6-18-9-15)19-11-16(12-19)7-14(10-23-16)22-13-3-1-5-17-8-13/h1-6,8-9,14H,7,10-12H2/t14-/m0/s1.
What are the key properties of (7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane?
(7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane has a molecular weight of 363.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 124779774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).