methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate

C9H12ClNO2S — CID 43438917

IUPACmethyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO2S/c1-6(11-5-9(12)13-2)7-3-4-8(10)14-7/h3-4,6,11H,5H2,1-2H3
InChIKeyOGQSZWHMFHUSOO-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.23
Rot. Bonds4

About methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate

methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate (PubChem CID 43438917) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
PubChem CID43438917
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Namemethyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO2S/c1-6(11-5-9(12)13-2)7-3-4-8(10)14-7/h3-4,6,11H,5H2,1-2H3
InChIKeyOGQSZWHMFHUSOO-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate 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

2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide
CID 54956748
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
N-(4-chlorophenyl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]acetamide
CID 61469757
1-(azepan-1-yl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanone
CID 54938054
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
CID 103243977
ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
CID 103243974
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol
CID 43432574
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
(2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide
CID 70306782

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate?
The IUPAC name of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate (CID 43438917) is methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate?
The canonical SMILES for methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate is COC(=O)CNC(C)c1ccc(Cl)s1.
What is the InChIKey of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate?
The InChIKey is OGQSZWHMFHUSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-6(11-5-9(12)13-2)7-3-4-8(10)14-7/h3-4,6,11H,5H2,1-2H3.
What are the key properties of methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate?
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate has a molecular weight of 233.72 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate is sourced from PubChem (CID 43438917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).