2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline

C16H26N2O2S — CID 62994733

IUPAC2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline
SMILESCCS(=O)(=O)c1ccccc1NCC(C)CN1CCCC1
InChIInChI=1S/C16H26N2O2S/c1-3-21(19,20)16-9-5-4-8-15(16)17-12-14(2)13-18-10-6-7-11-18/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3
InChIKeyZKFSLRPPJWYASP-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.62
Rot. Bonds7

About 2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline

2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline (PubChem CID 62994733) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline
PubChem CID62994733
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline
SMILESCCS(=O)(=O)c1ccccc1NCC(C)CN1CCCC1
InChIInChI=1S/C16H26N2O2S/c1-3-21(19,20)16-9-5-4-8-15(16)17-12-14(2)13-18-10-6-7-11-18/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3
InChIKeyZKFSLRPPJWYASP-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline 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-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide
CID 62994735
2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline
CID 61474408
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991124
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
N-(2-chloro-4-methylpentyl)-2-ethylsulfonylaniline
CID 107156379
2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline
CID 102846486
N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine
CID 63120930
2-ethylsulfonyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]aniline
CID 99858133
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656
2-(2-methylbutylamino)benzenesulfonamide
CID 62692672
N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-4-methylsulfonyl-2-nitroaniline
CID 51964340
3-methyl-4-(2-propylsulfonylanilino)butan-1-ol
CID 66107946

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline?
The IUPAC name of 2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline (CID 62994733) is 2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline?
The canonical SMILES for 2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline is CCS(=O)(=O)c1ccccc1NCC(C)CN1CCCC1.
What is the InChIKey of 2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline?
The InChIKey is ZKFSLRPPJWYASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-21(19,20)16-9-5-4-8-15(16)17-12-14(2)13-18-10-6-7-11-18/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline?
2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline has a molecular weight of 310.46 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline is sourced from PubChem (CID 62994733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).