N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide

C14H22N2O3S — CID 107855920

IUPACN-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)CC2CCCN2)c1
InChIInChI=1S/C14H22N2O3S/c1-19-14-6-2-4-12(10-14)7-9-16-20(17,18)11-13-5-3-8-15-13/h2,4,6,10,13,15-16H,3,5,7-9,11H2,1H3
InChIKeyPARGEWMCHIMJHT-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.91
Rot. Bonds7

About N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide

N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 107855920) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID107855920
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)CC2CCCN2)c1
InChIInChI=1S/C14H22N2O3S/c1-19-14-6-2-4-12(10-14)7-9-16-20(17,18)11-13-5-3-8-15-13/h2,4,6,10,13,15-16H,3,5,7-9,11H2,1H3
InChIKeyPARGEWMCHIMJHT-UHFFFAOYSA-N
XLogP0.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
(2S)-2-[(4-methoxyphenyl)sulfonylmethyl]pyrrolidine
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1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
CID 60864201
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine
CID 115071228
1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994792
1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972420
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110606554
(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
CID 71624271
N-(4-methoxyphenyl)-2-pyrrolidin-2-ylethanesulfonamide
CID 115071361
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide
CID 80688987

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide (CID 107855920) is N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide is COc1cccc(CCNS(=O)(=O)CC2CCCN2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is PARGEWMCHIMJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-14-6-2-4-12(10-14)7-9-16-20(17,18)11-13-5-3-8-15-13/h2,4,6,10,13,15-16H,3,5,7-9,11H2,1H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 107855920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).