[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C16H21NO3S — CID 102745170

IUPAC[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(C#CCO)c2)CC(C)(C)O1
InChIInChI=1S/C16H21NO3S/c1-15(2)10-17(11-16(3,4)20-15)14(19)12-8-13(21-9-12)6-5-7-18/h8-9,18H,7,10-11H2,1-4H3
InChIKeyXNXTWAFTHWTULN-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.12
Rot. Bonds1

About [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 102745170) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID102745170
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(C#CCO)c2)CC(C)(C)O1
InChIInChI=1S/C16H21NO3S/c1-15(2)10-17(11-16(3,4)20-15)14(19)12-8-13(21-9-12)6-5-7-18/h8-9,18H,7,10-11H2,1-4H3
InChIKeyXNXTWAFTHWTULN-UHFFFAOYSA-N
XLogP2.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone 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 [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 102745170) is [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2csc(C#CCO)c2)CC(C)(C)O1.
What is the InChIKey of [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is XNXTWAFTHWTULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-15(2)10-17(11-16(3,4)20-15)14(19)12-8-13(21-9-12)6-5-7-18/h8-9,18H,7,10-11H2,1-4H3.
What are the key properties of [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 307.42 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 102745170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).