[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone

C11H15BrN2OS — CID 115270508

IUPAC[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone
SMILESCC1(CN)CCCN1C(=O)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-11(7-13)5-2-6-14(11)10(15)8-3-4-9(12)16-8/h3-4H,2,5-7,13H2,1H3
InChIKeyPWDKKIJMGVOEBP-UHFFFAOYSA-N
MW303.22 g/mol
LogP2.46
Rot. Bonds2

About [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone

[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone (PubChem CID 115270508) has the molecular formula C11H15BrN2OS and a molecular weight of 303.22 g/mol. Its IUPAC name is [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone
PubChem CID115270508
Molecular FormulaC11H15BrN2OS
Molecular Weight303.22 g/mol
Exact Mass302.01
IUPAC Name[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone
SMILESCC1(CN)CCCN1C(=O)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-11(7-13)5-2-6-14(11)10(15)8-3-4-9(12)16-8/h3-4H,2,5-7,13H2,1H3
InChIKeyPWDKKIJMGVOEBP-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 115270537
1-(5-bromothiophene-2-carbonyl)-6,6-dimethylpiperidin-3-one
CID 115276268
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 115266990
(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304624
4-(5-bromothiophene-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 16863778
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 165469087
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 115270727
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 115267174
(5-bromothiophen-2-yl)-(3-hydroxy-4,4-dimethylpiperidin-1-yl)methanone
CID 115276716
4-(5-bromothiophene-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66074207
1-[4-(5-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110805994
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 115270597

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone (CID 115270508) is [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone is CC1(CN)CCCN1C(=O)c1ccc(Br)s1.
What is the InChIKey of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone?
The InChIKey is PWDKKIJMGVOEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-11(7-13)5-2-6-14(11)10(15)8-3-4-9(12)16-8/h3-4H,2,5-7,13H2,1H3.
What are the key properties of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone?
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone has a molecular weight of 303.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone is sourced from PubChem (CID 115270508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).