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

C14H22N2O2S — CID 58858762

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-16-10-4-5-13(16)11-15-19(17,18)14-8-6-12(2)7-9-14/h6-9,13,15H,3-5,10-11H2,1-2H3/t13-/m0/s1
InChIKeyKEMHVSYCGZIQTJ-ZDUSSCGKSA-N
MW282.41 g/mol
LogP1.76
Rot. Bonds5

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

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 58858762) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID58858762
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-16-10-4-5-13(16)11-15-19(17,18)14-8-6-12(2)7-9-14/h6-9,13,15H,3-5,10-11H2,1-2H3/t13-/m0/s1
InChIKeyKEMHVSYCGZIQTJ-ZDUSSCGKSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 127266419
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 140772672
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258799
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111043801
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2574466
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 4889482
3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide
CID 92501377
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-4-pyridin-3-ylbenzenesulfonamide
CID 171914644

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide (CID 58858762) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide is CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is KEMHVSYCGZIQTJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-16-10-4-5-13(16)11-15-19(17,18)14-8-6-12(2)7-9-14/h6-9,13,15H,3-5,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 58858762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).