5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline

C13H20N2O2S — CID 54883049

IUPAC5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
SMILESCCC1CCCN1S(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C13H20N2O2S/c1-3-11-5-4-8-15(11)18(16,17)12-7-6-10(2)13(14)9-12/h6-7,9,11H,3-5,8,14H2,1-2H3
InChIKeyCPQOMSQXWWYGMJ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.14
Rot. Bonds3

About 5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline

5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline (PubChem CID 54883049) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
PubChem CID54883049
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
SMILESCCC1CCCN1S(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C13H20N2O2S/c1-3-11-5-4-8-15(11)18(16,17)12-7-6-10(2)13(14)9-12/h6-7,9,11H,3-5,8,14H2,1-2H3
InChIKeyCPQOMSQXWWYGMJ-UHFFFAOYSA-N
XLogP2.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.14
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-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54881931
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
2-chloro-4-(2-ethylazepan-1-yl)sulfonylaniline
CID 104690556
4-(2-ethylazepan-1-yl)sulfonyl-2-fluoroaniline
CID 104688737
4-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylbenzonitrile
CID 106833218
3-[4-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]prop-2-yn-1-amine
CID 60973544
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
5-(2-ethylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110604707

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline?
The IUPAC name of 5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline (CID 54883049) is 5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline.
What is the SMILES notation for 5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline?
The canonical SMILES for 5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline is CCC1CCCN1S(=O)(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline?
The InChIKey is CPQOMSQXWWYGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-11-5-4-8-15(11)18(16,17)12-7-6-10(2)13(14)9-12/h6-7,9,11H,3-5,8,14H2,1-2H3.
What are the key properties of 5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline?
5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline has a molecular weight of 268.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline is sourced from PubChem (CID 54883049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).