2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine

C16H25NO2S — CID 138998214

IUPAC2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCC2C(C)C)cc1
InChIInChI=1S/C16H25NO2S/c1-12(2)14-7-9-15(10-8-14)20(18,19)17-11-5-6-16(17)13(3)4/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyJBVLXTWXTSBJDV-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.62
Rot. Bonds4

About 2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine

2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine (PubChem CID 138998214) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
PubChem CID138998214
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCC2C(C)C)cc1
InChIInChI=1S/C16H25NO2S/c1-12(2)14-7-9-15(10-8-14)20(18,19)17-11-5-6-16(17)13(3)4/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyJBVLXTWXTSBJDV-UHFFFAOYSA-N
XLogP3.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 47411048
2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide
CID 79203713
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 51856541
4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110871642
2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
CID 82844266
(2S)-2-[(1S)-1-iodoethyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101191700
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096219
2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096220
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine
CID 110728294

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine (CID 138998214) is 2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine is CC(C)c1ccc(S(=O)(=O)N2CCCC2C(C)C)cc1.
What is the InChIKey of 2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
The InChIKey is JBVLXTWXTSBJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12(2)14-7-9-15(10-8-14)20(18,19)17-11-5-6-16(17)13(3)4/h7-10,12-13,16H,5-6,11H2,1-4H3.
What are the key properties of 2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine has a molecular weight of 295.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 138998214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).