(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid

C9H8ClNO5S2 — CID 94322789

IUPAC(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)N(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C9H8ClNO5S2/c10-7-1-2-8(17-7)18(15,16)11-4-5(12)3-6(11)9(13)14/h1-2,6H,3-4H2,(H,13,14)/t6-/m0/s1
InChIKeyNXRPMTXTFNCVRR-LURJTMIESA-N
MW309.75 g/mol
LogP0.82
Rot. Bonds3

About (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid

(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid (PubChem CID 94322789) has the molecular formula C9H8ClNO5S2 and a molecular weight of 309.75 g/mol. Its IUPAC name is (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid
PubChem CID94322789
Molecular FormulaC9H8ClNO5S2
Molecular Weight309.75 g/mol
Exact Mass308.95
IUPAC Name(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)N(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C9H8ClNO5S2/c10-7-1-2-8(17-7)18(15,16)11-4-5(12)3-6(11)9(13)14/h1-2,6H,3-4H2,(H,13,14)/t6-/m0/s1
InChIKeyNXRPMTXTFNCVRR-LURJTMIESA-N
XLogP0.82
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 7063076
[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 16801813
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
[4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219101
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 51648857
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole
CID 131915901
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
benzyl 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 3866320

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid (CID 94322789) is (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid is O=C1C[C@@H](C(=O)O)N(S(=O)(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid?
The InChIKey is NXRPMTXTFNCVRR-LURJTMIESA-N. The full InChI is InChI=1S/C9H8ClNO5S2/c10-7-1-2-8(17-7)18(15,16)11-4-5(12)3-6(11)9(13)14/h1-2,6H,3-4H2,(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid?
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid has a molecular weight of 309.75 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-chlorothiophen-2-yl)sulfonyl-4-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 94322789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).