2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide

C10H15BrN2OS — CID 115152569

IUPAC2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide
SMILESCC(N)C(=O)N(C)CCc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-7(12)10(14)13(2)4-3-9-5-8(11)6-15-9/h5-7H,3-4,12H2,1-2H3
InChIKeySKAVLWCSWQDINK-UHFFFAOYSA-N
MW291.21 g/mol
LogP1.86
Rot. Bonds4

About 2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide

2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide (PubChem CID 115152569) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide
PubChem CID115152569
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide
SMILESCC(N)C(=O)N(C)CCc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-7(12)10(14)13(2)4-3-9-5-8(11)6-15-9/h5-7H,3-4,12H2,1-2H3
InChIKeySKAVLWCSWQDINK-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-(methylaminomethyl)butanamide
CID 115188991
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
2-[2-(4-bromothiophen-2-yl)ethyl-methylamino]butanedioic acid
CID 115144485
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanediamide
CID 54872226
2-[2-(4-bromothiophen-2-yl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165452
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
4-[(4-bromothiophen-2-yl)methyl-methylamino]-3-methyl-4-oxobutanoic acid
CID 115164633
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 81087845
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide
CID 106112087
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide?
The IUPAC name of 2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide (CID 115152569) is 2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide is CC(N)C(=O)N(C)CCc1cc(Br)cs1.
What is the InChIKey of 2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide?
The InChIKey is SKAVLWCSWQDINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-7(12)10(14)13(2)4-3-9-5-8(11)6-15-9/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide?
2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide has a molecular weight of 291.21 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 115152569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).