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

C15H24N2O3S — CID 79311862

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)c1ccccc1CO
InChIInChI=1S/C15H24N2O3S/c1-3-17-10-6-8-14(17)11-16(2)21(19,20)15-9-5-4-7-13(15)12-18/h4-5,7,9,14,18H,3,6,8,10-12H2,1-2H3
InChIKeyJCPQCNXPLIJYBJ-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.28
Rot. Bonds6

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide (PubChem CID 79311862) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
PubChem CID79311862
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)c1ccccc1CO
InChIInChI=1S/C15H24N2O3S/c1-3-17-10-6-8-14(17)11-16(2)21(19,20)15-9-5-4-7-13(15)12-18/h4-5,7,9,14,18H,3,6,8,10-12H2,1-2H3
InChIKeyJCPQCNXPLIJYBJ-UHFFFAOYSA-N
XLogP1.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79308982
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
2-bromo-N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 60620479
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide
CID 79310769
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788
5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide
CID 79308831
2-bromo-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-3-sulfonamide
CID 79308837
N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide
CID 107402685
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 79303073
3-amino-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79303674
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 105421404

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide (CID 79311862) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide is CCN1CCCC1CN(C)S(=O)(=O)c1ccccc1CO.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The InChIKey is JCPQCNXPLIJYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-17-10-6-8-14(17)11-16(2)21(19,20)15-9-5-4-7-13(15)12-18/h4-5,7,9,14,18H,3,6,8,10-12H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 79311862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).