(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid

C11H15NO5S2 — CID 61151107

IUPAC(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)N2CC(O)C[C@H]2C(=O)O)s1
InChIInChI=1S/C11H15NO5S2/c1-2-8-3-4-10(18-8)19(16,17)12-6-7(13)5-9(12)11(14)15/h3-4,7,9,13H,2,5-6H2,1H3,(H,14,15)/t7?,9-/m0/s1
InChIKeyOYIDVGTTXADRIO-NETXQHHPSA-N
MW305.38 g/mol
LogP0.52
Rot. Bonds4

About (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 61151107) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID61151107
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Name(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)N2CC(O)C[C@H]2C(=O)O)s1
InChIInChI=1S/C11H15NO5S2/c1-2-8-3-4-10(18-8)19(16,17)12-6-7(13)5-9(12)11(14)15/h3-4,7,9,13H,2,5-6H2,1H3,(H,14,15)/t7?,9-/m0/s1
InChIKeyOYIDVGTTXADRIO-NETXQHHPSA-N
XLogP0.52
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(5-bromothiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61144941
(2S,4R)-1-(5-ethylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857292
(3S,4R)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135090321
(3S,4S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135091674
(2S,4R)-1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 80577388
(2S,4R)-1-[(5-ethylthiophen-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106005542
(2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 61144532
(2R,4S)-1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 11869799
ethyl 1-(5-ethylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
CID 115282486
(2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999632
1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154148
1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036482

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid (CID 61151107) is (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid is CCc1ccc(S(=O)(=O)N2CC(O)C[C@H]2C(=O)O)s1.
What is the InChIKey of (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is OYIDVGTTXADRIO-NETXQHHPSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-2-8-3-4-10(18-8)19(16,17)12-6-7(13)5-9(12)11(14)15/h3-4,7,9,13H,2,5-6H2,1H3,(H,14,15)/t7?,9-/m0/s1.
What are the key properties of (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61151107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).