2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline

C12H18N2O2S — CID 54881931

IUPAC2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)N2CCCC2C)cc1N
InChIInChI=1S/C12H18N2O2S/c1-9-5-6-11(8-12(9)13)17(15,16)14-7-3-4-10(14)2/h5-6,8,10H,3-4,7,13H2,1-2H3
InChIKeyWFKNSQNBCCHTGQ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.75
Rot. Bonds2

About 2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline

2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 54881931) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
PubChem CID54881931
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)N2CCCC2C)cc1N
InChIInChI=1S/C12H18N2O2S/c1-9-5-6-11(8-12(9)13)17(15,16)14-7-3-4-10(14)2/h5-6,8,10H,3-4,7,13H2,1-2H3
InChIKeyWFKNSQNBCCHTGQ-UHFFFAOYSA-N
XLogP1.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.75
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

2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54882062
5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
CID 54883049
2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43107737
3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 60973434
3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline
CID 93391248
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
6-(2-methylpyrrolidin-1-yl)sulfonylquinolin-2-amine
CID 62162789
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43255635
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-2-methylaniline
CID 65319145

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline (CID 54881931) is 2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline is Cc1ccc(S(=O)(=O)N2CCCC2C)cc1N.
What is the InChIKey of 2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is WFKNSQNBCCHTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-5-6-11(8-12(9)13)17(15,16)14-7-3-4-10(14)2/h5-6,8,10H,3-4,7,13H2,1-2H3.
What are the key properties of 2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline?
2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 254.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 54881931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).