1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine

C19H31NO2S — CID 754181

IUPAC1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCCC2)c(C(C)C)c1
InChIInChI=1S/C19H31NO2S/c1-13(2)16-11-17(14(3)4)19(18(12-16)15(5)6)23(21,22)20-9-7-8-10-20/h11-15H,7-10H2,1-6H3
InChIKeyOLVHTKMCICZHET-UHFFFAOYSA-N
MW337.53 g/mol
LogP4.84
Rot. Bonds5

About 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine

1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine (PubChem CID 754181) has the molecular formula C19H31NO2S and a molecular weight of 337.53 g/mol. Its IUPAC name is 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine
PubChem CID754181
Molecular FormulaC19H31NO2S
Molecular Weight337.53 g/mol
Exact Mass337.21
IUPAC Name1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCCC2)c(C(C)C)c1
InChIInChI=1S/C19H31NO2S/c1-13(2)16-11-17(14(3)4)19(18(12-16)15(5)6)23(21,22)20-9-7-8-10-20/h11-15H,7-10H2,1-6H3
InChIKeyOLVHTKMCICZHET-UHFFFAOYSA-N
XLogP4.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine?
The IUPAC name of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine (CID 754181) is 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine.
What is the SMILES notation for 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine?
The canonical SMILES for 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine is CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCCC2)c(C(C)C)c1.
What is the InChIKey of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine?
The InChIKey is OLVHTKMCICZHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2S/c1-13(2)16-11-17(14(3)4)19(18(12-16)15(5)6)23(21,22)20-9-7-8-10-20/h11-15H,7-10H2,1-6H3.
What are the key properties of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine?
1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine has a molecular weight of 337.53 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 754181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).