(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

C13H12ClNO2S — CID 30545695

IUPAC(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)o1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C13H12ClNO2S/c14-12-6-5-10(17-12)13(16)15-7-1-3-9(15)11-4-2-8-18-11/h2,4-6,8-9H,1,3,7H2/t9-/m0/s1
InChIKeyIKXNCFOTPKBQNR-VIFPVBQESA-N
MW281.76 g/mol
LogP3.97
Rot. Bonds2

About (5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (PubChem CID 30545695) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
PubChem CID30545695
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)o1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C13H12ClNO2S/c14-12-6-5-10(17-12)13(16)15-7-1-3-9(15)11-4-2-8-18-11/h2,4-6,8-9H,1,3,7H2/t9-/m0/s1
InChIKeyIKXNCFOTPKBQNR-VIFPVBQESA-N
XLogP3.97
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-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-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43004671
(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51935584
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 106686175
(5-bromo-2-iodophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 103600262
(3-chloro-1-benzothiophen-2-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035571
(4-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43018663
(3-phenyl-1,2-oxazol-5-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 51612891
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43018641
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95319796
3-chloro-2,2-dimethyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 63679619

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (CID 30545695) is (5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)o1)N1CCC[C@H]1c1cccs1.
What is the InChIKey of (5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is IKXNCFOTPKBQNR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-12-6-5-10(17-12)13(16)15-7-1-3-9(15)11-4-2-8-18-11/h2,4-6,8-9H,1,3,7H2/t9-/m0/s1.
What are the key properties of (5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 281.76 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 30545695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).