2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide

C14H22N2O2S — CID 140772662

IUPAC2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCCN1CCC[C@@H]1Cc1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C14H22N2O2S/c1-3-16-8-4-5-13(16)10-12-9-11(2)6-7-14(12)19(15,17)18/h6-7,9,13H,3-5,8,10H2,1-2H3,(H2,15,17,18)/t13-/m1/s1
InChIKeyQFLUERWCFJCILE-CYBMUJFWSA-N
MW282.41 g/mol
LogP1.67
Rot. Bonds4

About 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide

2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 140772662) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID140772662
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCCN1CCC[C@@H]1Cc1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C14H22N2O2S/c1-3-16-8-4-5-13(16)10-12-9-11(2)6-7-14(12)19(15,17)18/h6-7,9,13H,3-5,8,10H2,1-2H3,(H2,15,17,18)/t13-/m1/s1
InChIKeyQFLUERWCFJCILE-CYBMUJFWSA-N
XLogP1.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-[(1-ethylpyrrolidin-2-yl)methylamino]-2-methylbenzenesulfonamide
CID 79899490
N-[(2,5-dimethylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 60657747
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
CID 60987259
3-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dihydroxy-6-methoxybenzamide
CID 88636335
ethyl 2-[(2,5-dimethylphenyl)methyl]pyrrolidine-1-carboxylate
CID 110411236
1-(2,4-dimethylphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79308718
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonyl-5-methylaniline
CID 62885554
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 94078466
(2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine
CID 169188321
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
2-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 117129834

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide (CID 140772662) is 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide is CCN1CCC[C@@H]1Cc1cc(C)ccc1S(N)(=O)=O.
What is the InChIKey of 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is QFLUERWCFJCILE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-16-8-4-5-13(16)10-12-9-11(2)6-7-14(12)19(15,17)18/h6-7,9,13H,3-5,8,10H2,1-2H3,(H2,15,17,18)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide?
2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 140772662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).