dimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate

C15H21NO6S2 — CID 3478767

IUPACdimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)N2CCCCC2C)c(C(=O)OC)c1C
InChIInChI=1S/C15H21NO6S2/c1-9-7-5-6-8-16(9)24(19,20)15-11(13(17)21-3)10(2)12(23-15)14(18)22-4/h9H,5-8H2,1-4H3
InChIKeyCJEWVNSCUPSDEB-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.19
Rot. Bonds4

About dimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate

dimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate (PubChem CID 3478767) has the molecular formula C15H21NO6S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is dimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate
PubChem CID3478767
Molecular FormulaC15H21NO6S2
Molecular Weight375.47 g/mol
Exact Mass375.08
IUPAC Namedimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)N2CCCCC2C)c(C(=O)OC)c1C
InChIInChI=1S/C15H21NO6S2/c1-9-7-5-6-8-16(9)24(19,20)15-11(13(17)21-3)10(2)12(23-15)14(18)22-4/h9H,5-8H2,1-4H3
InChIKeyCJEWVNSCUPSDEB-UHFFFAOYSA-N
XLogP2.19
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate (CID 3478767) is dimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate is COC(=O)c1sc(S(=O)(=O)N2CCCCC2C)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate?
The InChIKey is CJEWVNSCUPSDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S2/c1-9-7-5-6-8-16(9)24(19,20)15-11(13(17)21-3)10(2)12(23-15)14(18)22-4/h9H,5-8H2,1-4H3.
What are the key properties of dimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate?
dimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate has a molecular weight of 375.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-5-(2-methylpiperidin-1-yl)sulfonylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 3478767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).