(1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C17H26N2O3S2 — CID 55714417

IUPAC(1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCCC2c2ccsc2)C1
InChIInChI=1S/C17H26N2O3S2/c1-2-11-24(21,22)18-8-3-5-14(12-18)17(20)19-9-4-6-16(19)15-7-10-23-13-15/h7,10,13-14,16H,2-6,8-9,11-12H2,1H3
InChIKeyNTYUWNAGCDPAQA-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.86
Rot. Bonds5

About (1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

(1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 55714417) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID55714417
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC Name(1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCCC2c2ccsc2)C1
InChIInChI=1S/C17H26N2O3S2/c1-2-11-24(21,22)18-8-3-5-14(12-18)17(20)19-9-4-6-16(19)15-7-10-23-13-15/h7,10,13-14,16H,2-6,8-9,11-12H2,1H3
InChIKeyNTYUWNAGCDPAQA-UHFFFAOYSA-N
XLogP2.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-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

[2-(4-bromophenyl)pyrrolidin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
CID 55897115
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
CID 54871574
cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone
CID 51943375
(4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94117809
(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
CID 94171138
N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide
CID 94117741
3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-thiophen-3-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 55777117

Frequently Asked Questions

What is the IUPAC name of (1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 55714417) is (1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is CCCS(=O)(=O)N1CCCC(C(=O)N2CCCC2c2ccsc2)C1.
What is the InChIKey of (1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is NTYUWNAGCDPAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c1-2-11-24(21,22)18-8-3-5-14(12-18)17(20)19-9-4-6-16(19)15-7-10-23-13-15/h7,10,13-14,16H,2-6,8-9,11-12H2,1H3.
What are the key properties of (1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
(1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 370.54 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 55714417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).