(2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide

C9H13BrN2OS — CID 103735729

IUPAC(2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCc1csc(Br)c1
InChIInChI=1S/C9H13BrN2OS/c1-6(9(13)11-2)12-4-7-3-8(10)14-5-7/h3,5-6,12H,4H2,1-2H3,(H,11,13)/t6-/m1/s1
InChIKeyAPRVZYMRDIHNBE-ZCFIWIBFSA-N
MW277.19 g/mol
LogP1.73
Rot. Bonds4

About (2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide

(2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide (PubChem CID 103735729) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is (2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide
PubChem CID103735729
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name(2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NCc1csc(Br)c1
InChIInChI=1S/C9H13BrN2OS/c1-6(9(13)11-2)12-4-7-3-8(10)14-5-7/h3,5-6,12H,4H2,1-2H3,(H,11,13)/t6-/m1/s1
InChIKeyAPRVZYMRDIHNBE-ZCFIWIBFSA-N
XLogP1.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2-methylpropanamide
CID 131134392
2-[(5-bromothiophen-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866261
(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide
CID 103735692
3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide
CID 115709425
methyl 2-[(5-bromothiophen-3-yl)methylamino]-4-methylpentanoate
CID 43689088
2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide
CID 43675102
N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115709428
2-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpropanamide
CID 81002150
N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide
CID 20823796
1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
CID 60760516
(2R)-N-[(5-bromothiophen-3-yl)methyl]-2-(carbamoylamino)-3-methylbutanamide
CID 94025627
4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol
CID 43746723

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide (CID 103735729) is (2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide is CNC(=O)[C@@H](C)NCc1csc(Br)c1.
What is the InChIKey of (2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide?
The InChIKey is APRVZYMRDIHNBE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-6(9(13)11-2)12-4-7-3-8(10)14-5-7/h3,5-6,12H,4H2,1-2H3,(H,11,13)/t6-/m1/s1.
What are the key properties of (2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide?
(2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide has a molecular weight of 277.19 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 103735729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).