[(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C17H25N3O2S — CID 97450071

IUPAC[(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CC[C@]2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H25N3O2S/c21-16(14-2-8-22-11-14)20-7-4-17(13-20)3-1-6-19(12-17)10-15-18-5-9-23-15/h5,9,14H,1-4,6-8,10-13H2/t14-,17+/m1/s1
InChIKeyXPKRLHRWHYBYSJ-PBHICJAKSA-N
MW335.47 g/mol
LogP1.99
Rot. Bonds3

About [(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

[(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 97450071) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID97450071
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name[(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CC[C@]2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H25N3O2S/c21-16(14-2-8-22-11-14)20-7-4-17(13-20)3-1-6-19(12-17)10-15-18-5-9-23-15/h5,9,14H,1-4,6-8,10-13H2/t14-,17+/m1/s1
InChIKeyXPKRLHRWHYBYSJ-PBHICJAKSA-N
XLogP1.99
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of [(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 97450071) is [(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for [(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for [(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is O=C([C@@H]1CCOC1)N1CC[C@]2(CCCN(Cc3nccs3)C2)C1.
What is the InChIKey of [(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is XPKRLHRWHYBYSJ-PBHICJAKSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-16(14-2-8-22-11-14)20-7-4-17(13-20)3-1-6-19(12-17)10-15-18-5-9-23-15/h5,9,14H,1-4,6-8,10-13H2/t14-,17+/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
[(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 335.47 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl]-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97450071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).