3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline

C11H16N2O2S — CID 93391248

IUPAC3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline
SMILESC[C@H]1CCCN1S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C11H16N2O2S/c1-9-4-3-7-13(9)16(14,15)11-6-2-5-10(12)8-11/h2,5-6,8-9H,3-4,7,12H2,1H3/t9-/m0/s1
InChIKeyPXXXKBWSFKFYQQ-VIFPVBQESA-N
MW240.33 g/mol
LogP1.44
Rot. Bonds2

About 3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline

3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline (PubChem CID 93391248) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline.

Molecular Properties

Compound Name3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline
PubChem CID93391248
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline
SMILESC[C@H]1CCCN1S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C11H16N2O2S/c1-9-4-3-7-13(9)16(14,15)11-6-2-5-10(12)8-11/h2,5-6,8-9H,3-4,7,12H2,1H3/t9-/m0/s1
InChIKeyPXXXKBWSFKFYQQ-VIFPVBQESA-N
XLogP1.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.44
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-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 60973434
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62332456
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882423
2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54881931
3-(2,3-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 127890904
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
CID 54882754
2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54882062
3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43255635
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436
4-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 65206811
1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873415

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline?
The IUPAC name of 3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline (CID 93391248) is 3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline.
What is the SMILES notation for 3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline?
The canonical SMILES for 3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline is C[C@H]1CCCN1S(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline?
The InChIKey is PXXXKBWSFKFYQQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9-4-3-7-13(9)16(14,15)11-6-2-5-10(12)8-11/h2,5-6,8-9H,3-4,7,12H2,1H3/t9-/m0/s1.
What are the key properties of 3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline?
3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline has a molecular weight of 240.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline is sourced from PubChem (CID 93391248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).