3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one

C16H23NO3S2 — CID 71894964

IUPAC3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)C1CCCC1)N1CCCC1c1ccsc1
InChIInChI=1S/C16H23NO3S2/c18-16(8-11-22(19,20)14-4-1-2-5-14)17-9-3-6-15(17)13-7-10-21-12-13/h7,10,12,14-15H,1-6,8-9,11H2
InChIKeyBURPCBSJLHUKFH-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.16
Rot. Bonds5

About 3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one

3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 71894964) has the molecular formula C16H23NO3S2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
PubChem CID71894964
Molecular FormulaC16H23NO3S2
Molecular Weight341.50 g/mol
Exact Mass341.11
IUPAC Name3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)C1CCCC1)N1CCCC1c1ccsc1
InChIInChI=1S/C16H23NO3S2/c18-16(8-11-22(19,20)14-4-1-2-5-14)17-9-3-6-15(17)13-7-10-21-12-13/h7,10,12,14-15H,1-6,8-9,11H2
InChIKeyBURPCBSJLHUKFH-UHFFFAOYSA-N
XLogP3.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one (CID 71894964) is 3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one is O=C(CCS(=O)(=O)C1CCCC1)N1CCCC1c1ccsc1.
What is the InChIKey of 3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is BURPCBSJLHUKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S2/c18-16(8-11-22(19,20)14-4-1-2-5-14)17-9-3-6-15(17)13-7-10-21-12-13/h7,10,12,14-15H,1-6,8-9,11H2.
What are the key properties of 3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one?
3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 341.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 71894964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).