2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide

C10H15BrN2OS — CID 62899718

IUPAC2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C10H15BrN2OS/c1-3-8(10(12)14)13(2)5-7-4-9(11)15-6-7/h4,6,8H,3,5H2,1-2H3,(H2,12,14)
InChIKeyRZFZAKSGDYBOLP-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.21
Rot. Bonds5

About 2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide

2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide (PubChem CID 62899718) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide
PubChem CID62899718
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C10H15BrN2OS/c1-3-8(10(12)14)13(2)5-7-4-9(11)15-6-7/h4,6,8H,3,5H2,1-2H3,(H2,12,14)
InChIKeyRZFZAKSGDYBOLP-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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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
CID 61394474
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
3-[(5-bromothiophen-3-yl)methyl-methylamino]-4,4,4-trifluorobutanoic acid
CID 55148248
1-[(5-bromothiophen-3-yl)methyl-methylamino]butan-2-one
CID 62039108
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62461722
N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide
CID 54983912
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(3,4-dimethylphenyl)propan-1-one
CID 63566664
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-methoxyphenyl)propan-1-one
CID 62037158
2-[(3-methoxyphenyl)methyl-methylamino]butanamide
CID 62899149
2-[[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]methyl]butanoic acid
CID 65221363
(2R)-4-amino-2-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 107826989

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide (CID 62899718) is 2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide is CCC(C(N)=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide?
The InChIKey is RZFZAKSGDYBOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-3-8(10(12)14)13(2)5-7-4-9(11)15-6-7/h4,6,8H,3,5H2,1-2H3,(H2,12,14).
What are the key properties of 2-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide?
2-[(5-bromothiophen-3-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-[(5-bromothiophen-3-yl)methyl-methylamino]butanamide is sourced from PubChem (CID 62899718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).