1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone

C11H15BrN2OS — CID 115697951

IUPAC1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2csc(Br)c2)C1
InChIInChI=1S/C11H15BrN2OS/c1-8(15)14-3-2-10(6-14)13-5-9-4-11(12)16-7-9/h4,7,10,13H,2-3,5-6H2,1H3
InChIKeyIQGKUBQNJNVNOE-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.22
Rot. Bonds3

About 1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone

1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone (PubChem CID 115697951) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone
PubChem CID115697951
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2csc(Br)c2)C1
InChIInChI=1S/C11H15BrN2OS/c1-8(15)14-3-2-10(6-14)13-5-9-4-11(12)16-7-9/h4,7,10,13H,2-3,5-6H2,1H3
InChIKeyIQGKUBQNJNVNOE-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[(4-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 145484891
2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 38065184
N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine
CID 61169601
1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 115697955
N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine
CID 130941284
N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
CID 43431948
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide
CID 47253703
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone
CID 60979868
N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917694

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone (CID 115697951) is 1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(NCc2csc(Br)c2)C1.
What is the InChIKey of 1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone?
The InChIKey is IQGKUBQNJNVNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-8(15)14-3-2-10(6-14)13-5-9-4-11(12)16-7-9/h4,7,10,13H,2-3,5-6H2,1H3.
What are the key properties of 1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone?
1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone has a molecular weight of 303.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 115697951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).