1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone

C16H21NO4S — CID 72846601

IUPAC1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC3(CC2)OCCCC3O)s1
InChIInChI=1S/C16H21NO4S/c1-11(18)12-4-5-13(22-12)15(20)17-8-6-16(7-9-17)14(19)3-2-10-21-16/h4-5,14,19H,2-3,6-10H2,1H3
InChIKeyRONBIIRKCIESNO-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.10
Rot. Bonds2

About 1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone

1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone (PubChem CID 72846601) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is 1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone
PubChem CID72846601
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC Name1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC3(CC2)OCCCC3O)s1
InChIInChI=1S/C16H21NO4S/c1-11(18)12-4-5-13(22-12)15(20)17-8-6-16(7-9-17)14(19)3-2-10-21-16/h4-5,14,19H,2-3,6-10H2,1H3
InChIKeyRONBIIRKCIESNO-UHFFFAOYSA-N
XLogP2.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone 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-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone (CID 72846601) is 1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(C(=O)N2CCC3(CC2)OCCCC3O)s1.
What is the InChIKey of 1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone?
The InChIKey is RONBIIRKCIESNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-11(18)12-4-5-13(22-12)15(20)17-8-6-16(7-9-17)14(19)3-2-10-21-16/h4-5,14,19H,2-3,6-10H2,1H3.
What are the key properties of 1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone?
1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone has a molecular weight of 323.41 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 72846601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).