1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

C17H19NO3S — CID 124869928

IUPAC1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCCO[C@@H]1CSC2(C1)CN(C(=O)c1cc3ccccc3o1)C2
InChIInChI=1S/C17H19NO3S/c1-2-20-13-8-17(22-9-13)10-18(11-17)16(19)15-7-12-5-3-4-6-14(12)21-15/h3-7,13H,2,8-11H2,1H3/t13-/m0/s1
InChIKeyFMNNPVNBMUKRHE-ZDUSSCGKSA-N
MW317.41 g/mol
LogP3.17
Rot. Bonds3

About 1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124869928) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID124869928
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCCO[C@@H]1CSC2(C1)CN(C(=O)c1cc3ccccc3o1)C2
InChIInChI=1S/C17H19NO3S/c1-2-20-13-8-17(22-9-13)10-18(11-17)16(19)15-7-12-5-3-4-6-14(12)21-15/h3-7,13H,2,8-11H2,1H3/t13-/m0/s1
InChIKeyFMNNPVNBMUKRHE-ZDUSSCGKSA-N
XLogP3.17
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone with MolForge

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Related Compounds

[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]-quinolin-2-ylmethanone
CID 124869990
(5-chloro-1-benzofuran-2-yl)-[(7S)-7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124790502
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
(5-methylfuran-2-yl)-[(7S)-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124798444
(3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124792203
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
(5-methylfuran-2-yl)-[7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 133141659
(5-methylfuran-2-yl)-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131648180
furan-2-yl-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131660585
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
(3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131692208

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 124869928) is 1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is CCO[C@@H]1CSC2(C1)CN(C(=O)c1cc3ccccc3o1)C2.
What is the InChIKey of 1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is FMNNPVNBMUKRHE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-2-20-13-8-17(22-9-13)10-18(11-17)16(19)15-7-12-5-3-4-6-14(12)21-15/h3-7,13H,2,8-11H2,1H3/t13-/m0/s1.
What are the key properties of 1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 317.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124869928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).