methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate

C10H13NO5S2 — CID 3696003

IUPACmethyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H13NO5S2/c1-15-10(12)9-8(2-7-17-9)18(13,14)11-3-5-16-6-4-11/h2,7H,3-6H2,1H3
InChIKeySJAMQADHULAEBR-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.56
Rot. Bonds3

About methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate

methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate (PubChem CID 3696003) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
PubChem CID3696003
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Namemethyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H13NO5S2/c1-15-10(12)9-8(2-7-17-9)18(13,14)11-3-5-16-6-4-11/h2,7H,3-6H2,1H3
InChIKeySJAMQADHULAEBR-UHFFFAOYSA-N
XLogP0.56
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate 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 3-morpholin-4-ylsulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate (CID 3696003) is methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate?
The InChIKey is SJAMQADHULAEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c1-15-10(12)9-8(2-7-17-9)18(13,14)11-3-5-16-6-4-11/h2,7H,3-6H2,1H3.
What are the key properties of methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate?
methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate is sourced from PubChem (CID 3696003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).