2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline

C15H24N2O2S — CID 79888757

IUPAC2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
SMILESCc1cc(N)c(C)c(S(=O)(=O)N2CCCC2C(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-10(2)14-6-5-7-17(14)20(18,19)15-9-11(3)8-13(16)12(15)4/h8-10,14H,5-7,16H2,1-4H3
InChIKeyOGAGJGVZVJNTRY-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.69
Rot. Bonds3

About 2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline

2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 79888757) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
PubChem CID79888757
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
SMILESCc1cc(N)c(C)c(S(=O)(=O)N2CCCC2C(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-10(2)14-6-5-7-17(14)20(18,19)15-9-11(3)8-13(16)12(15)4/h8-10,14H,5-7,16H2,1-4H3
InChIKeyOGAGJGVZVJNTRY-UHFFFAOYSA-N
XLogP2.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-bromo-4-methyl-5-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol
CID 81480631
5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
CID 63932853
[5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol
CID 82879574
2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
CID 82844266
3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 102955371
3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79888899
3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79889840
2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591939
5-bromo-3-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
CID 114379047
4-(3-amino-2,5-dimethylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 79889413
1-[2-bromo-5-(chloromethyl)-3-methylphenyl]sulfonyl-2-propan-2-ylpyrrolidine
CID 114363666
1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43258628

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline (CID 79888757) is 2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline is Cc1cc(N)c(C)c(S(=O)(=O)N2CCCC2C(C)C)c1.
What is the InChIKey of 2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is OGAGJGVZVJNTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10(2)14-6-5-7-17(14)20(18,19)15-9-11(3)8-13(16)12(15)4/h8-10,14H,5-7,16H2,1-4H3.
What are the key properties of 2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline?
2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 296.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 79888757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).