[1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine

C10H15BrN2S — CID 126982100

IUPAC[1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(c2sccc2Br)C1
InChIInChI=1S/C10H15BrN2S/c1-10(6-12)3-4-13(7-10)9-8(11)2-5-14-9/h2,5H,3-4,6-7,12H2,1H3
InChIKeyWTGPPEJOYFMFTQ-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.69
Rot. Bonds2

About [1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine

[1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 126982100) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine
PubChem CID126982100
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name[1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(c2sccc2Br)C1
InChIInChI=1S/C10H15BrN2S/c1-10(6-12)3-4-13(7-10)9-8(11)2-5-14-9/h2,5H,3-4,6-7,12H2,1H3
InChIKeyWTGPPEJOYFMFTQ-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-1-thiophen-3-ylpyrrolidin-3-yl)methanamine
CID 130562612
[3-methyl-1-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine
CID 130900771
[1-[(3-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846944
(4-methyl-1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)methanamine
CID 114273407
1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318690
[3-methyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781039
[1-[(4-bromo-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780404
[1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771819
[1-[(4-bromo-3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120847005
[1-[5-(3-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
CID 102799525
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one;hydrochloride
CID 120803852
[1-[5-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpyrrolidin-3-yl]methanamine
CID 139434665

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine (CID 126982100) is [1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine is CC1(CN)CCN(c2sccc2Br)C1.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is WTGPPEJOYFMFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-10(6-12)3-4-13(7-10)9-8(11)2-5-14-9/h2,5H,3-4,6-7,12H2,1H3.
What are the key properties of [1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine?
[1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 275.21 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromothiophen-2-yl)-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 126982100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).