2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide

C10H15BrN2OS — CID 55211327

IUPAC2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-3-9(10(12)14)13(2)5-8-4-7(11)6-15-8/h4,6,9H,3,5H2,1-2H3,(H2,12,14)
InChIKeyUCILEZQBNGSJLG-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.21
Rot. Bonds5

About 2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide

2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide (PubChem CID 55211327) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide
PubChem CID55211327
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-3-9(10(12)14)13(2)5-8-4-7(11)6-15-8/h4,6,9H,3,5H2,1-2H3,(H2,12,14)
InChIKeyUCILEZQBNGSJLG-UHFFFAOYSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide (CID 55211327) is 2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide is CCC(C(N)=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide?
The InChIKey is UCILEZQBNGSJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-3-9(10(12)14)13(2)5-8-4-7(11)6-15-8/h4,6,9H,3,5H2,1-2H3,(H2,12,14).
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide?
2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide has a molecular weight of 291.21 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methyl-methylamino]butanamide is sourced from PubChem (CID 55211327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).