methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

C10H13NO4S2 — CID 6852111

IUPACmethyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H13NO4S2/c1-15-10(12)9-8(4-7-16-9)17(13,14)11-5-2-3-6-11/h4,7H,2-3,5-6H2,1H3
InChIKeyBOASVJRRVWFFPU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.32
Rot. Bonds3

About methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate (PubChem CID 6852111) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
PubChem CID6852111
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Namemethyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H13NO4S2/c1-15-10(12)9-8(4-7-16-9)17(13,14)11-5-2-3-6-11/h4,7H,2-3,5-6H2,1H3
InChIKeyBOASVJRRVWFFPU-UHFFFAOYSA-N
XLogP1.32
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate (CID 6852111) is methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate?
The InChIKey is BOASVJRRVWFFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c1-15-10(12)9-8(4-7-16-9)17(13,14)11-5-2-3-6-11/h4,7H,2-3,5-6H2,1H3.
What are the key properties of methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate?
methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate is sourced from PubChem (CID 6852111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).