N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide

C12H20N2O2S2 — CID 47395078

IUPACN-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCCC1c1ccsc1
InChIInChI=1S/C12H20N2O2S2/c1-18(15,16)13-6-3-8-14-7-2-4-12(14)11-5-9-17-10-11/h5,9-10,12-13H,2-4,6-8H2,1H3
InChIKeyZLFMIVLEDNNJRW-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.82
Rot. Bonds6

About N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide

N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide (PubChem CID 47395078) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide
PubChem CID47395078
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCCC1c1ccsc1
InChIInChI=1S/C12H20N2O2S2/c1-18(15,16)13-6-3-8-14-7-2-4-12(14)11-5-9-17-10-11/h5,9-10,12-13H,2-4,6-8H2,1H3
InChIKeyZLFMIVLEDNNJRW-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide 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

Dorzolamide
CID 5284549
4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide
CID 3154
(4R,6R)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
CID 92087
(4R,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
CID 6604453
ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]azanium
CID 36688115
(6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44390002
4-(1-Amino-pentyl)-thiophene-2-sulfonic acid amide
CID 10037665
4-(1-Butylamino-ethyl)-thiophene-2-sulfonic acid amide
CID 10038370
4-(1-Amino-heptyl)-thiophene-2-sulfonic acid amide
CID 10107524
N-(2-(azepan-1-yl)-2-(thiophen-3-yl)ethyl)thiophene-2-sulfonamide
CID 16933218
2-(Pyrrolidin-1-yl)-2-(thiophen-3-yl)ethan-1-amine
CID 16787050
ethyl-[(4S,6R)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]azanium
CID 36688112

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide (CID 47395078) is N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCN1CCCC1c1ccsc1.
What is the InChIKey of N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide?
The InChIKey is ZLFMIVLEDNNJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-18(15,16)13-6-3-8-14-7-2-4-12(14)11-5-9-17-10-11/h5,9-10,12-13H,2-4,6-8H2,1H3.
What are the key properties of N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide?
N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 47395078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).