1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one

C11H15BrN2OS — CID 119413521

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one
SMILESN[C@@H]1CCN(C(=O)CCc2cc(Br)cs2)C1
InChIInChI=1S/C11H15BrN2OS/c12-8-5-10(16-7-8)1-2-11(15)14-4-3-9(13)6-14/h5,7,9H,1-4,6,13H2/t9-/m1/s1
InChIKeyAAMYVMHGHFAGCA-SECBINFHSA-N
MW303.22 g/mol
LogP2.00
Rot. Bonds3

About 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one

1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one (PubChem CID 119413521) has the molecular formula C11H15BrN2OS and a molecular weight of 303.22 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one
PubChem CID119413521
Molecular FormulaC11H15BrN2OS
Molecular Weight303.22 g/mol
Exact Mass302.01
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one
SMILESN[C@@H]1CCN(C(=O)CCc2cc(Br)cs2)C1
InChIInChI=1S/C11H15BrN2OS/c12-8-5-10(16-7-8)1-2-11(15)14-4-3-9(13)6-14/h5,7,9H,1-4,6,13H2/t9-/m1/s1
InChIKeyAAMYVMHGHFAGCA-SECBINFHSA-N
XLogP2.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one
CID 119411874
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one;hydrochloride
CID 119520974
3-(4-bromothiophen-2-yl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493881
1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119410848
1-(3-aminopyrrolidin-1-yl)-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119482531
1-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119934516
[(3S)-3-aminopyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone;hydrochloride
CID 119934163
3-(4-bromothiophen-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 111108432
1-[3-(4-bromothiophen-2-yl)propanoyl]piperidin-3-one
CID 115277144
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-bromo-1,3-benzothiazol-2-yl)propan-1-one;dihydrochloride
CID 119413025
1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917618
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one
CID 119437750

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one (CID 119413521) is 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one is N[C@@H]1CCN(C(=O)CCc2cc(Br)cs2)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one?
The InChIKey is AAMYVMHGHFAGCA-SECBINFHSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c12-8-5-10(16-7-8)1-2-11(15)14-4-3-9(13)6-14/h5,7,9H,1-4,6,13H2/t9-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one?
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one has a molecular weight of 303.22 g/mol, XLogP of 2.00, 3 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]-3-(4-bromothiophen-2-yl)propan-1-one is sourced from PubChem (CID 119413521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).