3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine

C14H21NO2S — CID 134946960

IUPAC3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCCC1(C)CCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H21NO2S/c1-4-14(3)9-10-15(11-14)18(16,17)13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3
InChIKeyVJSDLRYUODOYCF-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.81
Rot. Bonds3

About 3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine

3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 134946960) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID134946960
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCCC1(C)CCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H21NO2S/c1-4-14(3)9-10-15(11-14)18(16,17)13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3
InChIKeyVJSDLRYUODOYCF-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 134946960) is 3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine is CCC1(C)CCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is VJSDLRYUODOYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-14(3)9-10-15(11-14)18(16,17)13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3.
What are the key properties of 3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 267.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 134946960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).