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

C9H13ClN2OS — CID 103630177

IUPAC(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/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
InChIKeyKUEZMECLVLVJGJ-LURJTMIESA-N
MW232.74 g/mol
LogP1.41
Rot. Bonds4

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

(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide (PubChem CID 103630177) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
PubChem CID103630177
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/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
InChIKeyKUEZMECLVLVJGJ-LURJTMIESA-N
XLogP1.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide
CID 86996141
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 103809470
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 114140578
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 119735845
(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 94199388
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855
2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]-3-methoxypropanoic acid
CID 106039755

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide (CID 103630177) is (2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide is C[C@H](N)C(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of (2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide?
The InChIKey is KUEZMECLVLVJGJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H13ClN2OS/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-chlorothiophen-2-yl)ethyl]propanamide?
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide has a molecular weight of 232.74 g/mol, XLogP of 1.41, 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-chlorothiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 103630177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).