3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline

C15H24N2O2S — CID 103171753

IUPAC3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline
SMILESCCCC1CCN(S(=O)(=O)c2c(C)ccc(C)c2N)C1
InChIInChI=1S/C15H24N2O2S/c1-4-5-13-8-9-17(10-13)20(18,19)15-12(3)7-6-11(2)14(15)16/h6-7,13H,4-5,8-10,16H2,1-3H3
InChIKeyCPANJJSGCVEREE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.70
Rot. Bonds4

About 3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline

3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 103171753) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline
PubChem CID103171753
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline
SMILESCCCC1CCN(S(=O)(=O)c2c(C)ccc(C)c2N)C1
InChIInChI=1S/C15H24N2O2S/c1-4-5-13-8-9-17(10-13)20(18,19)15-12(3)7-6-11(2)14(15)16/h6-7,13H,4-5,8-10,16H2,1-3H3
InChIKeyCPANJJSGCVEREE-UHFFFAOYSA-N
XLogP2.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.70
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

[3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine
CID 107328129
1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 103171174
2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline
CID 103171907
4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 113418711
3-methyl-4-(3-propylpyrrolidin-1-yl)sulfonylbenzenecarbothioamide
CID 106998511
1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63168134
3-(2-bromoethyl)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine
CID 114801823
1-(2-bromo-4-fluorophenyl)sulfonyl-3-propylpyrrolidine
CID 112695935
[1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708491
[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258860
2-chloro-3-(3-propylpyrrolidin-1-yl)sulfonylpyridine
CID 113246633
1-(2-amino-3,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103355133

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline (CID 103171753) is 3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline is CCCC1CCN(S(=O)(=O)c2c(C)ccc(C)c2N)C1.
What is the InChIKey of 3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is CPANJJSGCVEREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-5-13-8-9-17(10-13)20(18,19)15-12(3)7-6-11(2)14(15)16/h6-7,13H,4-5,8-10,16H2,1-3H3.
What are the key properties of 3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline?
3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 296.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-(3-propylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 103171753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).