2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol

C12H20N2OS — CID 114797177

IUPAC2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol
SMILESNCC(c1cccs1)N1CCC(CCO)C1
InChIInChI=1S/C12H20N2OS/c13-8-11(12-2-1-7-16-12)14-5-3-10(9-14)4-6-15/h1-2,7,10-11,15H,3-6,8-9,13H2
InChIKeyUDZIWAOOWMRNKQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.45
Rot. Bonds5

About 2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol

2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol (PubChem CID 114797177) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol
PubChem CID114797177
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol
SMILESNCC(c1cccs1)N1CCC(CCO)C1
InChIInChI=1S/C12H20N2OS/c13-8-11(12-2-1-7-16-12)14-5-3-10(9-14)4-6-15/h1-2,7,10-11,15H,3-6,8-9,13H2
InChIKeyUDZIWAOOWMRNKQ-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol
CID 62941144
2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
CID 114797039
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine
CID 79174673
2-[1-(2-amino-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 55021562
2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
CID 3733262
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352
N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62511490
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 114797720
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine
CID 16642687
2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114797124

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol (CID 114797177) is 2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol is NCC(c1cccs1)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is UDZIWAOOWMRNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c13-8-11(12-2-1-7-16-12)14-5-3-10(9-14)4-6-15/h1-2,7,10-11,15H,3-6,8-9,13H2.
What are the key properties of 2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol?
2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 240.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114797177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).