3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one

C14H22N2OS — CID 81086710

IUPAC3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C14H22N2OS/c1-2-11(9-15)8-14(17)16-6-3-4-13(16)12-5-7-18-10-12/h5,7,10-11,13H,2-4,6,8-9,15H2,1H3
InChIKeyRNQZRXBBTJSTJR-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.79
Rot. Bonds5

About 3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one

3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one (PubChem CID 81086710) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
PubChem CID81086710
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C14H22N2OS/c1-2-11(9-15)8-14(17)16-6-3-4-13(16)12-5-7-18-10-12/h5,7,10-11,13H,2-4,6,8-9,15H2,1H3
InChIKeyRNQZRXBBTJSTJR-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one (CID 81086710) is 3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one is CCC(CN)CC(=O)N1CCCC1c1ccsc1.
What is the InChIKey of 3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is RNQZRXBBTJSTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-11(9-15)8-14(17)16-6-3-4-13(16)12-5-7-18-10-12/h5,7,10-11,13H,2-4,6,8-9,15H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one?
3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 266.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 81086710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).