1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine

C14H21NO2S — CID 110429015

IUPAC1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
SMILESCCC1CCCN1S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H21NO2S/c1-4-13-6-5-9-15(13)18(16,17)14-8-7-11(2)12(3)10-14/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyKMMJKLCAPLVQFK-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.87
Rot. Bonds3

About 1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine

1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine (PubChem CID 110429015) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
PubChem CID110429015
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
SMILESCCC1CCCN1S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H21NO2S/c1-4-13-6-5-9-15(13)18(16,17)14-8-7-11(2)12(3)10-14/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyKMMJKLCAPLVQFK-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
CID 54883049
4-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylbenzonitrile
CID 106833218
2-(3-chloropropyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 63400723
2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61371093
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
3-[4-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]prop-2-yn-1-amine
CID 60973544
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776
[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409204
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
5-(2-ethylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110604707

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine (CID 110429015) is 1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine is CCC1CCCN1S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine?
The InChIKey is KMMJKLCAPLVQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-13-6-5-9-15(13)18(16,17)14-8-7-11(2)12(3)10-14/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine?
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine has a molecular weight of 267.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine is sourced from PubChem (CID 110429015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).