N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide

C15H24N2O2S — CID 56789870

IUPACN-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCc1ccc(CC2CCCN2CCNS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O2S/c1-13-5-7-14(8-6-13)12-15-4-3-10-17(15)11-9-16-20(2,18)19/h5-8,15-16H,3-4,9-12H2,1-2H3
InChIKeyCSAPDZIFMSKHKA-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.55
Rot. Bonds6

About N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide

N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide (PubChem CID 56789870) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
PubChem CID56789870
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCc1ccc(CC2CCCN2CCNS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O2S/c1-13-5-7-14(8-6-13)12-15-4-3-10-17(15)11-9-16-20(2,18)19/h5-8,15-16H,3-4,9-12H2,1-2H3
InChIKeyCSAPDZIFMSKHKA-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol
CID 111439739
N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 78899671
N-[2-[2-(2-hydroxy-2-thiophen-2-ylethyl)azepan-1-yl]ethyl]methanesulfonamide
CID 111858472
N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073346
1-(4-methylphenyl)-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 110750308
N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 95249606
2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 95568169
N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 71988900
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 124509626
3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide
CID 32746263

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide (CID 56789870) is N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide is Cc1ccc(CC2CCCN2CCNS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is CSAPDZIFMSKHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13-5-7-14(8-6-13)12-15-4-3-10-17(15)11-9-16-20(2,18)19/h5-8,15-16H,3-4,9-12H2,1-2H3.
What are the key properties of N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide?
N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 56789870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).