2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide

C11H15BrN2OS — CID 91660173

IUPAC2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide
SMILESCC(N)C(=O)N(Cc1csc(Br)c1)C1CC1
InChIInChI=1S/C11H15BrN2OS/c1-7(13)11(15)14(9-2-3-9)5-8-4-10(12)16-6-8/h4,6-7,9H,2-3,5,13H2,1H3
InChIKeyRIQLGPCLPHFBME-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide

2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide (PubChem CID 91660173) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide
PubChem CID91660173
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide
SMILESCC(N)C(=O)N(Cc1csc(Br)c1)C1CC1
InChIInChI=1S/C11H15BrN2OS/c1-7(13)11(15)14(9-2-3-9)5-8-4-10(12)16-6-8/h4,6-7,9H,2-3,5,13H2,1H3
InChIKeyRIQLGPCLPHFBME-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide (CID 91660173) is 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide is CC(N)C(=O)N(Cc1csc(Br)c1)C1CC1.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide?
The InChIKey is RIQLGPCLPHFBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-7(13)11(15)14(9-2-3-9)5-8-4-10(12)16-6-8/h4,6-7,9H,2-3,5,13H2,1H3.
What are the key properties of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide?
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide has a molecular weight of 303.23 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-cyclopropylpropanamide is sourced from PubChem (CID 91660173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).