1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine

C10H15BrN2S — CID 130979517

IUPAC1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine
SMILESCC1C(N)CCN1Cc1ccsc1Br
InChIInChI=1S/C10H15BrN2S/c1-7-9(12)2-4-13(7)6-8-3-5-14-10(8)11/h3,5,7,9H,2,4,6,12H2,1H3
InChIKeyMZBIQPRQBWQUEW-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.43
Rot. Bonds2

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

1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine (PubChem CID 130979517) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine
PubChem CID130979517
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine
SMILESCC1C(N)CCN1Cc1ccsc1Br
InChIInChI=1S/C10H15BrN2S/c1-7-9(12)2-4-13(7)6-8-3-5-14-10(8)11/h3,5,7,9H,2,4,6,12H2,1H3
InChIKeyMZBIQPRQBWQUEW-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine (CID 130979517) is 1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine is CC1C(N)CCN1Cc1ccsc1Br.
What is the InChIKey of 1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine?
The InChIKey is MZBIQPRQBWQUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-7-9(12)2-4-13(7)6-8-3-5-14-10(8)11/h3,5,7,9H,2,4,6,12H2,1H3.
What are the key properties of 1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine?
1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine has a molecular weight of 275.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromothiophen-3-yl)methyl]-2-methylpyrrolidin-3-amine is sourced from PubChem (CID 130979517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).