1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone

C11H16N2OS — CID 81483813

IUPAC1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
SMILESNCC1CCCN1C(=O)Cc1cccs1
InChIInChI=1S/C11H16N2OS/c12-8-9-3-1-5-13(9)11(14)7-10-4-2-6-15-10/h2,4,6,9H,1,3,5,7-8,12H2
InChIKeyICBYPYHSDPTIPR-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.24
Rot. Bonds3

About 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 81483813) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID81483813
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
SMILESNCC1CCCN1C(=O)Cc1cccs1
InChIInChI=1S/C11H16N2OS/c12-8-9-3-1-5-13(9)11(14)7-10-4-2-6-15-10/h2,4,6,9H,1,3,5,7-8,12H2
InChIKeyICBYPYHSDPTIPR-UHFFFAOYSA-N
XLogP1.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 39086648
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119650884
1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 110601864
1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 99714963
3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-2-carboxylic acid
CID 107069583
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone
CID 119634670
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119630856
1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 95343864
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 28706496
1-[3-(aminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119465007
1-[2-(4-methylphenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 50747412
N-[4-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]thiophene-2-sulfonamide
CID 119634459

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone (CID 81483813) is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone is NCC1CCCN1C(=O)Cc1cccs1.
What is the InChIKey of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is ICBYPYHSDPTIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-8-9-3-1-5-13(9)11(14)7-10-4-2-6-15-10/h2,4,6,9H,1,3,5,7-8,12H2.
What are the key properties of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 224.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 81483813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).