2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid

C10H13NO4S2 — CID 60953541

IUPAC2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)N1CCCC1c1cccs1
InChIInChI=1S/C10H13NO4S2/c12-10(13)7-17(14,15)11-5-1-3-8(11)9-4-2-6-16-9/h2,4,6,8H,1,3,5,7H2,(H,12,13)
InChIKeyUBXJSVONVLYHCN-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.30
Rot. Bonds4

About 2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid

2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid (PubChem CID 60953541) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid
PubChem CID60953541
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)N1CCCC1c1cccs1
InChIInChI=1S/C10H13NO4S2/c12-10(13)7-17(14,15)11-5-1-3-8(11)9-4-2-6-16-9/h2,4,6,8H,1,3,5,7H2,(H,12,13)
InChIKeyUBXJSVONVLYHCN-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylbutanoate
CID 61460575
1-(4-chlorobutylsulfonyl)-2-thiophen-2-ylpyrrolidine
CID 116815219
(2S)-1-benzylsulfonyl-2-thiophen-2-ylazepane
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CID 22586782
2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine
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(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 51550798
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-2-thiophen-2-ylpyrrolidine
CID 134035739
3-[(2-thiophen-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019481
1-(4-nitrophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 43001355
1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 18170893
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
(E)-4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)but-2-enoic acid
CID 54874829

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid (CID 60953541) is 2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid is O=C(O)CS(=O)(=O)N1CCCC1c1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid?
The InChIKey is UBXJSVONVLYHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c12-10(13)7-17(14,15)11-5-1-3-8(11)9-4-2-6-16-9/h2,4,6,8H,1,3,5,7H2,(H,12,13).
What are the key properties of 2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid?
2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid has a molecular weight of 275.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 60953541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).