2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline

C14H22N2O2S — CID 103171849

IUPAC2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(C)CC2C)c1N
InChIInChI=1S/C14H22N2O2S/c1-9-7-12(4)16(8-9)19(17,18)14-11(3)6-5-10(2)13(14)15/h5-6,9,12H,7-8,15H2,1-4H3
InChIKeyOESVSLOHWGEGIO-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.30
Rot. Bonds2

About 2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline

2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline (PubChem CID 103171849) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline.

Molecular Properties

Compound Name2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline
PubChem CID103171849
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(C)CC2C)c1N
InChIInChI=1S/C14H22N2O2S/c1-9-7-12(4)16(8-9)19(17,18)14-11(3)6-5-10(2)13(14)15/h5-6,9,12H,7-8,15H2,1-4H3
InChIKeyOESVSLOHWGEGIO-UHFFFAOYSA-N
XLogP2.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.30
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

1-(2-amino-3,6-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 103171274
2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline
CID 62332105
2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591958
2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline
CID 103171907
1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 103171174
3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline
CID 103171753
3-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-diethylaniline
CID 107407046
1-[4-(3-chloropropyl)phenyl]sulfonyl-2,4-dimethylpyrrolidine
CID 115644416
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107327541
[5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582258
1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103355133
[4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine
CID 102704769

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline?
The IUPAC name of 2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline (CID 103171849) is 2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline.
What is the SMILES notation for 2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline?
The canonical SMILES for 2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline is Cc1ccc(C)c(S(=O)(=O)N2CC(C)CC2C)c1N.
What is the InChIKey of 2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline?
The InChIKey is OESVSLOHWGEGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-7-12(4)16(8-9)19(17,18)14-11(3)6-5-10(2)13(14)15/h5-6,9,12H,7-8,15H2,1-4H3.
What are the key properties of 2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline?
2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline has a molecular weight of 282.41 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3,6-dimethylaniline is sourced from PubChem (CID 103171849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).