[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine

C13H20N2O2S — CID 55030896

IUPAC[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCCc1ccc(S(=O)(=O)N2CCC(CN)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-2-11-3-5-13(6-4-11)18(16,17)15-8-7-12(9-14)10-15/h3-6,12H,2,7-10,14H2,1H3
InChIKeyRYFYRVUWFIGXFE-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.22
Rot. Bonds4

About [1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine

[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 55030896) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID55030896
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCCc1ccc(S(=O)(=O)N2CCC(CN)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-2-11-3-5-13(6-4-11)18(16,17)15-8-7-12(9-14)10-15/h3-6,12H,2,7-10,14H2,1H3
InChIKeyRYFYRVUWFIGXFE-UHFFFAOYSA-N
XLogP1.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
1-[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583154
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
[1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971791
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
[(3S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 125118085
[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972213
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine (CID 55030896) is [1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine is CCc1ccc(S(=O)(=O)N2CCC(CN)C2)cc1.
What is the InChIKey of [1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is RYFYRVUWFIGXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-11-3-5-13(6-4-11)18(16,17)15-8-7-12(9-14)10-15/h3-6,12H,2,7-10,14H2,1H3.
What are the key properties of [1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine?
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 268.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 55030896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).