N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine

C14H22N2O2S — CID 62592879

IUPACN-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-15-11-13-5-4-10-16(13)12-6-8-14(9-7-12)19(2,17)18/h6-9,13,15H,3-5,10-11H2,1-2H3
InChIKeyUFPDPMXWWYSEFQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.67
Rot. Bonds5

About N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine

N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 62592879) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine
PubChem CID62592879
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-15-11-13-5-4-10-16(13)12-6-8-14(9-7-12)19(2,17)18/h6-9,13,15H,3-5,10-11H2,1-2H3
InChIKeyUFPDPMXWWYSEFQ-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]propan-1-amine
CID 62592530
N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62592004
N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine
CID 62587078
N-ethyl-4-[2-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
CID 63253614
N-[(4-methylsulfonylphenyl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95610651
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonic acid
CID 91451326
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63855104
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 63873612
N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide
CID 90619970
methyl 1-(4-methylsulfonylphenyl)piperidine-2-carboxylate
CID 115538364
N-methyl-1-[1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidin-2-yl]methanamine
CID 115316991
N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine
CID 3072413

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine (CID 62592879) is N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine is CCNCC1CCCN1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is UFPDPMXWWYSEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-15-11-13-5-4-10-16(13)12-6-8-14(9-7-12)19(2,17)18/h6-9,13,15H,3-5,10-11H2,1-2H3.
What are the key properties of N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine?
N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 282.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 62592879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).