(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

C9H10ClNO3S — CID 106671594

IUPAC(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CC(O)C(O)C1
InChIInChI=1S/C9H10ClNO3S/c10-8-2-1-7(15-8)9(14)11-3-5(12)6(13)4-11/h1-2,5-6,12-13H,3-4H2
InChIKeyHDOUSYLUUVIIME-UHFFFAOYSA-N
MW247.70 g/mol
LogP0.58
Rot. Bonds1

About (5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106671594) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106671594
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CC(O)C(O)C1
InChIInChI=1S/C9H10ClNO3S/c10-8-2-1-7(15-8)9(14)11-3-5(12)6(13)4-11/h1-2,5-6,12-13H,3-4H2
InChIKeyHDOUSYLUUVIIME-UHFFFAOYSA-N
XLogP0.58
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chlorothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27233889
(5-chlorothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25237037
5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
CID 106670963
(3S,4S)-1-(5-chlorothiophene-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951011
1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122119428
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
(5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 91625205
(5-chlorothiophen-2-yl)-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 134700251
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride
CID 120747084

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106671594) is (5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is O=C(c1ccc(Cl)s1)N1CC(O)C(O)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is HDOUSYLUUVIIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c10-8-2-1-7(15-8)9(14)11-3-5(12)6(13)4-11/h1-2,5-6,12-13H,3-4H2.
What are the key properties of (5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 247.70 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106671594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).