2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid

C10H13NO4S2 — CID 2386006

IUPAC2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C10H13NO4S2/c12-9(13)7-8-3-4-10(16-8)17(14,15)11-5-1-2-6-11/h3-4H,1-2,5-7H2,(H,12,13)
InChIKeyUJACCRCVRARFCH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.16
Rot. Bonds4

About 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid

2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid (PubChem CID 2386006) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid
PubChem CID2386006
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C10H13NO4S2/c12-9(13)7-8-3-4-10(16-8)17(14,15)11-5-1-2-6-11/h3-4H,1-2,5-7H2,(H,12,13)
InChIKeyUJACCRCVRARFCH-UHFFFAOYSA-N
XLogP1.16
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-(Morpholine-4-sulfonyl)thiophen-2-yl)acetic acid
CID 2380528
1-[(5-Methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 3762482
2-[5-(Piperidine-1-sulfonyl)thiophen-2-yl]acetic acid
CID 3837253
1-[(5-Methyl-2-thienyl)sulfonyl]-2-piperidinecarboxylic acid
CID 2986460
5-(1-Pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid
CID 61027232
2-[5-(Diethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29560077
2-[5-(Azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid
CID 43440223
2-(4-Pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid
CID 178294241
2-[5-(3-Azabicyclo[3.1.1]heptan-3-ylsulfonyl)thiophen-2-yl]acetic acid
CID 178297576
2-[5-(4-Fluoropiperidin-1-yl)sulfonylthiophen-2-yl]acetic acid
CID 178299962
Methyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 178302369
2-(4-Piperidin-1-ylsulfonylthiophen-2-yl)acetic acid
CID 178302732

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid?
The IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid (CID 2386006) is 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid is O=C(O)Cc1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid?
The InChIKey is UJACCRCVRARFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c12-9(13)7-8-3-4-10(16-8)17(14,15)11-5-1-2-6-11/h3-4H,1-2,5-7H2,(H,12,13).
What are the key properties of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid?
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid has a molecular weight of 275.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid is sourced from PubChem (CID 2386006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).