(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide

C9H13BrN2OS — CID 103794381

IUPAC(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C9H13BrN2OS/c1-6(11)9(13)12-5-4-7-2-3-8(10)14-7/h2-3,6H,4-5,11H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyUBECFTJBTJQKJC-LURJTMIESA-N
MW277.19 g/mol
LogP1.52
Rot. Bonds4

About (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide

(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide (PubChem CID 103794381) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
PubChem CID103794381
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C9H13BrN2OS/c1-6(11)9(13)12-5-4-7-2-3-8(10)14-7/h2-3,6H,4-5,11H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyUBECFTJBTJQKJC-LURJTMIESA-N
XLogP1.52
TPSA55.12 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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
CID 103808340
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119276581
(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391
ethyl 2-amino-3-[2-(5-bromothiophen-2-yl)ethylamino]-3-oxopropanoate
CID 106047987
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
(2R)-2-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 103994680
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
CID 112735476
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 106048013
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
3-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]-2-methylpropanoic acid
CID 106040443
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106047974

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide (CID 103794381) is (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide is C[C@H](N)C(=O)NCCc1ccc(Br)s1.
What is the InChIKey of (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide?
The InChIKey is UBECFTJBTJQKJC-LURJTMIESA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-6(11)9(13)12-5-4-7-2-3-8(10)14-7/h2-3,6H,4-5,11H2,1H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide?
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide has a molecular weight of 277.19 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 103794381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).