methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate

C12H16ClNO3S — CID 117240898

IUPACmethyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate
SMILESCOC(=O)C(CN1CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNO3S/c1-16-12(15)9(10-2-3-11(13)18-10)8-14-4-6-17-7-5-14/h2-3,9H,4-8H2,1H3
InChIKeyBSPBVSFLDHQACY-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.99
Rot. Bonds4

About methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate

methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate (PubChem CID 117240898) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate
PubChem CID117240898
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Namemethyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate
SMILESCOC(=O)C(CN1CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNO3S/c1-16-12(15)9(10-2-3-11(13)18-10)8-14-4-6-17-7-5-14/h2-3,9H,4-8H2,1H3
InChIKeyBSPBVSFLDHQACY-UHFFFAOYSA-N
XLogP1.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate?
The IUPAC name of methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate (CID 117240898) is methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate.
What is the SMILES notation for methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate?
The canonical SMILES for methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate is COC(=O)C(CN1CCOCC1)c1ccc(Cl)s1.
What is the InChIKey of methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate?
The InChIKey is BSPBVSFLDHQACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-16-12(15)9(10-2-3-11(13)18-10)8-14-4-6-17-7-5-14/h2-3,9H,4-8H2,1H3.
What are the key properties of methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate?
methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate has a molecular weight of 289.78 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate is sourced from PubChem (CID 117240898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).