(3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

C17H18N2O3S — CID 124893626

IUPAC(3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCc1ccoc1C(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1
InChIInChI=1S/C17H18N2O3S/c1-12-5-7-21-15(12)16(20)19-10-17(11-19)8-13(9-23-17)22-14-4-2-3-6-18-14/h2-7,13H,8-11H2,1H3/t13-/m0/s1
InChIKeyPDRRTAOWNSXPHD-ZDUSSCGKSA-N
MW330.41 g/mol
LogP2.76
Rot. Bonds3

About (3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

(3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124893626) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID124893626
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCc1ccoc1C(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1
InChIInChI=1S/C17H18N2O3S/c1-12-5-7-21-15(12)16(20)19-10-17(11-19)8-13(9-23-17)22-14-4-2-3-6-18-14/h2-7,13H,8-11H2,1H3/t13-/m0/s1
InChIKeyPDRRTAOWNSXPHD-ZDUSSCGKSA-N
XLogP2.76
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-methylfuran-2-yl)-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131692555
furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131656106
2-methyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)propan-1-one
CID 131692273
[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
CID 124791057
(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone
CID 131652969
(5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131692404
2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
CID 131692274
(3-methylfuran-2-yl)-[(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124893632
(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 131692142
2-methyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155859941
(7S)-2-ethylsulfonyl-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octane
CID 124895940
(4-methyl-1,3-oxazol-5-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 133142855

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 124893626) is (3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is Cc1ccoc1C(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1.
What is the InChIKey of (3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is PDRRTAOWNSXPHD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-5-7-21-15(12)16(20)19-10-17(11-19)8-13(9-23-17)22-14-4-2-3-6-18-14/h2-7,13H,8-11H2,1H3/t13-/m0/s1.
What are the key properties of (3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
(3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 330.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124893626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).