3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide

C10H15BrN2OS — CID 115154895

IUPAC3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
SMILESCN(C(=O)CC(C)(C)N)c1ccc(Br)s1
InChIInChI=1S/C10H15BrN2OS/c1-10(2,12)6-8(14)13(3)9-5-4-7(11)15-9/h4-5H,6,12H2,1-3H3
InChIKeySRJRKNZMFMUNEH-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.60
Rot. Bonds3

About 3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide

3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide (PubChem CID 115154895) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
PubChem CID115154895
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
SMILESCN(C(=O)CC(C)(C)N)c1ccc(Br)s1
InChIInChI=1S/C10H15BrN2OS/c1-10(2,12)6-8(14)13(3)9-5-4-7(11)15-9/h4-5H,6,12H2,1-3H3
InChIKeySRJRKNZMFMUNEH-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167022
N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide
CID 115176777
ethyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128742
N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
CID 115193397
N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide
CID 115173629
N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171678
3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide
CID 115154940
1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol
CID 115136851
N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187232
3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide
CID 115154948
methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128348
[(5-bromothiophen-2-yl)-methylamino]methanol
CID 115228803

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide?
The IUPAC name of 3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide (CID 115154895) is 3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide.
What is the SMILES notation for 3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide?
The canonical SMILES for 3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide is CN(C(=O)CC(C)(C)N)c1ccc(Br)s1.
What is the InChIKey of 3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide?
The InChIKey is SRJRKNZMFMUNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-10(2,12)6-8(14)13(3)9-5-4-7(11)15-9/h4-5H,6,12H2,1-3H3.
What are the key properties of 3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide?
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide has a molecular weight of 291.21 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide is sourced from PubChem (CID 115154895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).