N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide

C17H28N2O3S — CID 131916150

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide
SMILESCOCCN1CCC(CN(C)S(=O)(=O)Cc2cccc(C)c2)C1
InChIInChI=1S/C17H28N2O3S/c1-15-5-4-6-16(11-15)14-23(20,21)18(2)12-17-7-8-19(13-17)9-10-22-3/h4-6,11,17H,7-10,12-14H2,1-3H3
InChIKeyQWFPHDBEYYFTFS-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.72
Rot. Bonds8

About N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide (PubChem CID 131916150) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide
PubChem CID131916150
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide
SMILESCOCCN1CCC(CN(C)S(=O)(=O)Cc2cccc(C)c2)C1
InChIInChI=1S/C17H28N2O3S/c1-15-5-4-6-16(11-15)14-23(20,21)18(2)12-17-7-8-19(13-17)9-10-22-3/h4-6,11,17H,7-10,12-14H2,1-3H3
InChIKeyQWFPHDBEYYFTFS-UHFFFAOYSA-N
XLogP1.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
N-[benzyl(methyl)sulfamoyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methylmethanamine
CID 131941133
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 164642640
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 131897813
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,2-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 131902198
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
CID 131937951
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673
1-(2-methoxyethyl)-4-(3-methylphenyl)piperidine
CID 163612835
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 16887671
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine
CID 134696870
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 166623466
(Z)-3-(2,6-difluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]prop-2-enamide
CID 98479465

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide (CID 131916150) is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide is COCCN1CCC(CN(C)S(=O)(=O)Cc2cccc(C)c2)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is QWFPHDBEYYFTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-15-5-4-6-16(11-15)14-23(20,21)18(2)12-17-7-8-19(13-17)9-10-22-3/h4-6,11,17H,7-10,12-14H2,1-3H3.
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide?
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 1.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 131916150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).