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

C14H22N2O2S — CID 79313037

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-3-16-11-7-8-13(16)12-15(2)19(17,18)14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3
InChIKeyBRLTVNROPQQLQR-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.79
Rot. Bonds5

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 79313037) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID79313037
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-3-16-11-7-8-13(16)12-15(2)19(17,18)14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3
InChIKeyBRLTVNROPQQLQR-UHFFFAOYSA-N
XLogP1.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79311862
2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79308982
3-amino-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79303674
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 79303073
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide
CID 79310769
2-bromo-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 60620479
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 99818002
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 79315278
3-cyano-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 51132572
3-acetyl-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 60620769
5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide
CID 79308831
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide (CID 79313037) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide is CCN1CCCC1CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is BRLTVNROPQQLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-16-11-7-8-13(16)12-15(2)19(17,18)14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 79313037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).