(2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid

C11H15NO4S2 — CID 42256949

IUPAC(2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)s1
InChIInChI=1S/C11H15NO4S2/c1-2-8-5-6-10(17-8)18(15,16)12-7-3-4-9(12)11(13)14/h5-6,9H,2-4,7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyKNDUNXPLMFMQHZ-VIFPVBQESA-N
MW289.38 g/mol
LogP1.55
Rot. Bonds4

About (2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid

(2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 42256949) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID42256949
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name(2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)s1
InChIInChI=1S/C11H15NO4S2/c1-2-8-5-6-10(17-8)18(15,16)12-7-3-4-9(12)11(13)14/h5-6,9H,2-4,7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyKNDUNXPLMFMQHZ-VIFPVBQESA-N
XLogP1.55
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-(Pyrrolidine-1-sulfonyl)thiophen-2-yl)acetic acid
CID 2386006
1-[(5-Methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 3762482
1-(Thiophene-2-sulfonyl)-pyrrolidine-2-carboxylic acid
CID 3150908
1-[(5-Methyl-2-thienyl)sulfonyl]-2-piperidinecarboxylic acid
CID 2986460
(8S)-7-(benzenesulfonyl)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 72737389
(1S,4R,5R)-2-(4,5-dimethylthiophen-2-yl)sulfonyl-5-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 136583767
(2S,5S)-5-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 164642432
2-[2-Thiophen-2-ylethyl(trifluoromethylsulfonyl)amino]butanoic acid
CID 68696786
1-[5-(Trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 121778650
1-[5-(Trifluoromethyl)thiophen-2-yl]sulfonylpiperidine-2-carboxylic acid
CID 121778658
(2S)-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 121778680
(2R)-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 121778684

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 42256949) is (2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid is CCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)s1.
What is the InChIKey of (2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is KNDUNXPLMFMQHZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-2-8-5-6-10(17-8)18(15,16)12-7-3-4-9(12)11(13)14/h5-6,9H,2-4,7H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid?
(2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 42256949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).