1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide

C13H20N2O3S — CID 154739482

IUPAC1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide
SMILESCc1cccc(OCCN2CCC(S(N)(=O)=O)C2)c1
InChIInChI=1S/C13H20N2O3S/c1-11-3-2-4-12(9-11)18-8-7-15-6-5-13(10-15)19(14,16)17/h2-4,9,13H,5-8,10H2,1H3,(H2,14,16,17)
InChIKeyXBLIARMQFFJZCF-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.74
Rot. Bonds5

About 1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide

1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide (PubChem CID 154739482) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide
PubChem CID154739482
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide
SMILESCc1cccc(OCCN2CCC(S(N)(=O)=O)C2)c1
InChIInChI=1S/C13H20N2O3S/c1-11-3-2-4-12(9-11)18-8-7-15-6-5-13(10-15)19(14,16)17/h2-4,9,13H,5-8,10H2,1H3,(H2,14,16,17)
InChIKeyXBLIARMQFFJZCF-UHFFFAOYSA-N
XLogP0.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol
CID 94409239
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
2-[2-(3-methylphenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235633
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512965
5-[2-(3-methylphenoxy)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916021
2-methyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 134055131
4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 37219437
2-[1-[2-(3-methylphenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116684269
1-(cyclohexylmethyl)-4-[2-(3-methylphenoxy)ethyl]-1,4-diazepane
CID 52690010
[4-methyl-1-[3-(3-methylphenoxy)propyl]piperidin-3-yl]methanamine
CID 114961293
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 56822381

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide?
The IUPAC name of 1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide (CID 154739482) is 1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide is Cc1cccc(OCCN2CCC(S(N)(=O)=O)C2)c1.
What is the InChIKey of 1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide?
The InChIKey is XBLIARMQFFJZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11-3-2-4-12(9-11)18-8-7-15-6-5-13(10-15)19(14,16)17/h2-4,9,13H,5-8,10H2,1H3,(H2,14,16,17).
What are the key properties of 1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide?
1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 154739482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).