1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine

C14H21NO2S — CID 977143

IUPAC1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCCC2)c1C
InChIInChI=1S/C14H21NO2S/c1-10-9-11(2)13(4)14(12(10)3)18(16,17)15-7-5-6-8-15/h9H,5-8H2,1-4H3
InChIKeySZDHODJWXBCEKM-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.70
Rot. Bonds2

About 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine

1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine (PubChem CID 977143) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine
PubChem CID977143
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCCC2)c1C
InChIInChI=1S/C14H21NO2S/c1-10-9-11(2)13(4)14(12(10)3)18(16,17)15-7-5-6-8-15/h9H,5-8H2,1-4H3
InChIKeySZDHODJWXBCEKM-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine (CID 977143) is 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine is Cc1cc(C)c(C)c(S(=O)(=O)N2CCCC2)c1C.
What is the InChIKey of 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine?
The InChIKey is SZDHODJWXBCEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-9-11(2)13(4)14(12(10)3)18(16,17)15-7-5-6-8-15/h9H,5-8H2,1-4H3.
What are the key properties of 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine?
1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine has a molecular weight of 267.39 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 977143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).