2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide

C10H15BrN2OS — CID 115710447

IUPAC2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide
SMILESCc1cc(CNCC(=O)N(C)C)sc1Br
InChIInChI=1S/C10H15BrN2OS/c1-7-4-8(15-10(7)11)5-12-6-9(14)13(2)3/h4,12H,5-6H2,1-3H3
InChIKeyVYNHSUDBBCJMAB-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.00
Rot. Bonds4

About 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide

2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide (PubChem CID 115710447) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide
PubChem CID115710447
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide
SMILESCc1cc(CNCC(=O)N(C)C)sc1Br
InChIInChI=1S/C10H15BrN2OS/c1-7-4-8(15-10(7)11)5-12-6-9(14)13(2)3/h4,12H,5-6H2,1-3H3
InChIKeyVYNHSUDBBCJMAB-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide (CID 115710447) is 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide is Cc1cc(CNCC(=O)N(C)C)sc1Br.
What is the InChIKey of 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide?
The InChIKey is VYNHSUDBBCJMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-7-4-8(15-10(7)11)5-12-6-9(14)13(2)3/h4,12H,5-6H2,1-3H3.
What are the key properties of 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide?
2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide has a molecular weight of 291.21 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 115710447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).