1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one

C16H23NO3S — CID 72853685

IUPAC1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C16H23NO3S/c18-14-2-1-10-20-16(14)6-8-17(9-7-16)15(19)4-3-13-5-11-21-12-13/h5,11-12,14,18H,1-4,6-10H2
InChIKeyLSQGKWWKKIUWGD-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.21
Rot. Bonds3

About 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one

1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one (PubChem CID 72853685) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one
PubChem CID72853685
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C16H23NO3S/c18-14-2-1-10-20-16(14)6-8-17(9-7-16)15(19)4-3-13-5-11-21-12-13/h5,11-12,14,18H,1-4,6-10H2
InChIKeyLSQGKWWKKIUWGD-UHFFFAOYSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one (CID 72853685) is 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)N1CCC2(CC1)OCCCC2O.
What is the InChIKey of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is LSQGKWWKKIUWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c18-14-2-1-10-20-16(14)6-8-17(9-7-16)15(19)4-3-13-5-11-21-12-13/h5,11-12,14,18H,1-4,6-10H2.
What are the key properties of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one?
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 309.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 72853685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).