1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol

C10H16N2OS — CID 62941144

IUPAC1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol
SMILESNCC(c1cccs1)N1CCC(O)C1
InChIInChI=1S/C10H16N2OS/c11-6-9(10-2-1-5-14-10)12-4-3-8(13)7-12/h1-2,5,8-9,13H,3-4,6-7,11H2
InChIKeyYWICFGPHEOJFMZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.81
Rot. Bonds3

About 1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol

1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol (PubChem CID 62941144) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol
PubChem CID62941144
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol
SMILESNCC(c1cccs1)N1CCC(O)C1
InChIInChI=1S/C10H16N2OS/c11-6-9(10-2-1-5-14-10)12-4-3-8(13)7-12/h1-2,5,8-9,13H,3-4,6-7,11H2
InChIKeyYWICFGPHEOJFMZ-UHFFFAOYSA-N
XLogP0.81
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanol
CID 114797177
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine
CID 79174673
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
CID 62942981
2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
CID 3733262
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]pyrrolidin-3-ol
CID 62943169
2-pyrrol-1-yl-2-thiophen-2-ylethanamine
CID 55262597
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine
CID 16642687
1-[1-(1-thiophen-2-ylpropyl)pyrrolidin-3-yl]ethanamine
CID 103975639

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol (CID 62941144) is 1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol is NCC(c1cccs1)N1CCC(O)C1.
What is the InChIKey of 1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol?
The InChIKey is YWICFGPHEOJFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-6-9(10-2-1-5-14-10)12-4-3-8(13)7-12/h1-2,5,8-9,13H,3-4,6-7,11H2.
What are the key properties of 1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol?
1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol has a molecular weight of 212.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol is sourced from PubChem (CID 62941144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).