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

C16H21NO3S — CID 124806536

IUPAC[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC2(C[C@H](OCC3CC3)CS2)C1
InChIInChI=1S/C16H21NO3S/c1-11-14(4-5-19-11)15(18)17-9-16(10-17)6-13(8-21-16)20-7-12-2-3-12/h4-5,12-13H,2-3,6-10H2,1H3/t13-/m0/s1
InChIKeyGDDAPVGBQKDKCK-ZDUSSCGKSA-N
MW307.41 g/mol
LogP2.71
Rot. Bonds4

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

[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 124806536) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
PubChem CID124806536
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC2(C[C@H](OCC3CC3)CS2)C1
InChIInChI=1S/C16H21NO3S/c1-11-14(4-5-19-11)15(18)17-9-16(10-17)6-13(8-21-16)20-7-12-2-3-12/h4-5,12-13H,2-3,6-10H2,1H3/t13-/m0/s1
InChIKeyGDDAPVGBQKDKCK-ZDUSSCGKSA-N
XLogP2.71
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 124815222
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 124802173
[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
CID 124790834
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone
CID 131652733
(5-methylfuran-2-yl)-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131648180
[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
CID 124807351
(3,5-dimethylphenyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124796560
(2-methoxy-3-pyridinyl)-[(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124791148
(2-methoxy-3-pyridinyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124791149
[(7S)-7-(cyclopentylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124811680
[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
CID 131662707
[7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 131658713

Frequently Asked Questions

What is the IUPAC name of [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone (CID 124806536) is [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CC2(C[C@H](OCC3CC3)CS2)C1.
What is the InChIKey of [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is GDDAPVGBQKDKCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-11-14(4-5-19-11)15(18)17-9-16(10-17)6-13(8-21-16)20-7-12-2-3-12/h4-5,12-13H,2-3,6-10H2,1H3/t13-/m0/s1.
What are the key properties of [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone?
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 307.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 124806536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).