1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine

C13H20N2O2S — CID 103577492

IUPAC1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine
SMILESCCS(=O)(=O)c1ccccc1N1CC(C)C(N)C1
InChIInChI=1S/C13H20N2O2S/c1-3-18(16,17)13-7-5-4-6-12(13)15-8-10(2)11(14)9-15/h4-7,10-11H,3,8-9,14H2,1-2H3
InChIKeyLADUVLJNENZBSU-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.26
Rot. Bonds3

About 1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine

1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine (PubChem CID 103577492) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine
PubChem CID103577492
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine
SMILESCCS(=O)(=O)c1ccccc1N1CC(C)C(N)C1
InChIInChI=1S/C13H20N2O2S/c1-3-18(16,17)13-7-5-4-6-12(13)15-8-10(2)11(14)9-15/h4-7,10-11H,3,8-9,14H2,1-2H3
InChIKeyLADUVLJNENZBSU-UHFFFAOYSA-N
XLogP1.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
CID 103577764
[1-(2-ethylsulfonylphenyl)pyrrolidin-3-yl]methanamine
CID 62063097
(3S,4S)-1-(2-ethylsulfonylphenyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122064007
3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine
CID 62585382
[4-methyl-1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 114961634
2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide
CID 63760577
(2S)-2-ethyl-4-(2-ethylsulfonylphenyl)thiomorpholine
CID 100664431
1-(2-ethylsulfonylphenyl)-2-methylpiperidin-4-amine
CID 115313599
1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone
CID 63844803
N-ethyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine
CID 60807769
2-amino-3-(3,4-dimethylpyrrolidin-1-yl)benzenesulfonamide
CID 112674981
2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol
CID 61150559

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine (CID 103577492) is 1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine is CCS(=O)(=O)c1ccccc1N1CC(C)C(N)C1.
What is the InChIKey of 1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine?
The InChIKey is LADUVLJNENZBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-18(16,17)13-7-5-4-6-12(13)15-8-10(2)11(14)9-15/h4-7,10-11H,3,8-9,14H2,1-2H3.
What are the key properties of 1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine?
1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine has a molecular weight of 268.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103577492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).