1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol

C16H27NO2S — CID 3065887

IUPAC1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol
SMILESCc1ccsc1OCC(O)CN1C(C)(C)CCC1(C)C
InChIInChI=1S/C16H27NO2S/c1-12-6-9-20-14(12)19-11-13(18)10-17-15(2,3)7-8-16(17,4)5/h6,9,13,18H,7-8,10-11H2,1-5H3
InChIKeyDAJBFULPUQAYSD-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.45
Rot. Bonds5

About 1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol

1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol (PubChem CID 3065887) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol
PubChem CID3065887
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol
SMILESCc1ccsc1OCC(O)CN1C(C)(C)CCC1(C)C
InChIInChI=1S/C16H27NO2S/c1-12-6-9-20-14(12)19-11-13(18)10-17-15(2,3)7-8-16(17,4)5/h6,9,13,18H,7-8,10-11H2,1-5H3
InChIKeyDAJBFULPUQAYSD-UHFFFAOYSA-N
XLogP3.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol 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-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol (CID 3065887) is 1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol is Cc1ccsc1OCC(O)CN1C(C)(C)CCC1(C)C.
What is the InChIKey of 1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is DAJBFULPUQAYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-12-6-9-20-14(12)19-11-13(18)10-17-15(2,3)7-8-16(17,4)5/h6,9,13,18H,7-8,10-11H2,1-5H3.
What are the key properties of 1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol?
1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 297.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 3065887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).