1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one

C11H16N2OS — CID 119410172

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)N1CC[C@@H](N)C1)c1ccsc1
InChIInChI=1S/C11H16N2OS/c1-8(9-3-5-15-7-9)11(14)13-4-2-10(12)6-13/h3,5,7-8,10H,2,4,6,12H2,1H3/t8?,10-/m1/s1
InChIKeyQVDVXXLKLWAJMG-LHIURRSHSA-N
MW224.33 g/mol
LogP1.41
Rot. Bonds2

About 1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one

1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one (PubChem CID 119410172) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
PubChem CID119410172
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)N1CC[C@@H](N)C1)c1ccsc1
InChIInChI=1S/C11H16N2OS/c1-8(9-3-5-15-7-9)11(14)13-4-2-10(12)6-13/h3,5,7-8,10H,2,4,6,12H2,1H3/t8?,10-/m1/s1
InChIKeyQVDVXXLKLWAJMG-LHIURRSHSA-N
XLogP1.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-thiophen-3-ylpropan-1-one
CID 120814120
(2R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3,4-difluorophenyl)propan-1-one
CID 125146963
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 111435943
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119410208
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119410402
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
(2R)-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95773874
(2S)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95773712
1-(6-azaspiro[2.6]nonan-6-yl)-2-thiophen-3-ylpropan-1-one
CID 166247239
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one;hydrochloride
CID 120803852
1-(3-aminopyrrolidin-1-yl)-2-hydroxy-2-phenylethanone
CID 62068275
1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone
CID 115302102

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one (CID 119410172) is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one is CC(C(=O)N1CC[C@@H](N)C1)c1ccsc1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one?
The InChIKey is QVDVXXLKLWAJMG-LHIURRSHSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(9-3-5-15-7-9)11(14)13-4-2-10(12)6-13/h3,5,7-8,10H,2,4,6,12H2,1H3/t8?,10-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one?
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one has a molecular weight of 224.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 119410172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).