[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone

C10H13BrN2OS — CID 119631128

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone
SMILESNCC1CCCN1C(=O)c1cc(Br)cs1
InChIInChI=1S/C10H13BrN2OS/c11-7-4-9(15-6-7)10(14)13-3-1-2-8(13)5-12/h4,6,8H,1-3,5,12H2
InChIKeyXELKQUYUEAMOJG-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.07
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone (PubChem CID 119631128) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone
PubChem CID119631128
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone
SMILESNCC1CCCN1C(=O)c1cc(Br)cs1
InChIInChI=1S/C10H13BrN2OS/c11-7-4-9(15-6-7)10(14)13-3-1-2-8(13)5-12/h4,6,8H,1-3,5,12H2
InChIKeyXELKQUYUEAMOJG-UHFFFAOYSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 124595434
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 81482957
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone
CID 81483715
[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119631709
[2-(aminomethyl)piperidin-1-yl]-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119468268
4-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 143191807
[2-(aminomethyl)piperidin-1-yl]-[4-bromo-2-(trifluoromethyl)phenyl]methanone
CID 107333113
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
CID 119631149
2-[[1-(4-bromothiophene-2-carbonyl)pyrrolidin-2-yl]methyl]-6-tert-butylpyridazin-3-one
CID 126924183
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone
CID 119633174
(2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107023690

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone (CID 119631128) is [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone is NCC1CCCN1C(=O)c1cc(Br)cs1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone?
The InChIKey is XELKQUYUEAMOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c11-7-4-9(15-6-7)10(14)13-3-1-2-8(13)5-12/h4,6,8H,1-3,5,12H2.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone has a molecular weight of 289.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone is sourced from PubChem (CID 119631128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).