(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide

C13H20N2O3S — CID 101411108

IUPAC(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(11-5-7-12(18-2)8-6-11)15-19(16,17)13-4-3-9-14-13/h5-8,10,13-15H,3-4,9H2,1-2H3/t10-,13+/m1/s1
InChIKeySMWUREMUPFVXMX-MFKMUULPSA-N
MW284.38 g/mol
LogP1.39
Rot. Bonds5

About (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide

(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide (PubChem CID 101411108) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide
PubChem CID101411108
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(11-5-7-12(18-2)8-6-11)15-19(16,17)13-4-3-9-14-13/h5-8,10,13-15H,3-4,9H2,1-2H3/t10-,13+/m1/s1
InChIKeySMWUREMUPFVXMX-MFKMUULPSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide 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

N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634175
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
3-[1-(4-methoxyphenyl)ethylamino]piperidin-2-one
CID 62092478
2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid
CID 81370607
N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 81370566
1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 107858721
3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 106070641
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide?
The IUPAC name of (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide (CID 101411108) is (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide?
The canonical SMILES for (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide is COc1ccc([C@@H](C)NS(=O)(=O)[C@H]2CCCN2)cc1.
What is the InChIKey of (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide?
The InChIKey is SMWUREMUPFVXMX-MFKMUULPSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(11-5-7-12(18-2)8-6-11)15-19(16,17)13-4-3-9-14-13/h5-8,10,13-15H,3-4,9H2,1-2H3/t10-,13+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide?
(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-sulfonamide is sourced from PubChem (CID 101411108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).