4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline

C12H18N2O2S — CID 63215909

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
SMILESCC1(C)CCCN1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2S/c1-12(2)8-3-9-14(12)17(15,16)11-6-4-10(13)5-7-11/h4-7H,3,8-9,13H2,1-2H3
InChIKeyMTSSMUHXXCEMDE-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.83
Rot. Bonds2

About 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline

4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 63215909) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
PubChem CID63215909
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
SMILESCC1(C)CCCN1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2S/c1-12(2)8-3-9-14(12)17(15,16)11-6-4-10(13)5-7-11/h4-7H,3,8-9,13H2,1-2H3
InChIKeyMTSSMUHXXCEMDE-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219211
2-chloro-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 115330070
4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline
CID 63219174
N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 63217971
4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62935826
1-(3-bromo-4-methoxyphenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219127
2-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-methylaniline
CID 63216408
4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 55162313
2-chloro-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 112689420
3-[4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-2-methylphenyl]prop-2-yn-1-amine
CID 63218875
4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
CID 55162312
1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one
CID 22688879

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline (CID 63215909) is 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline is CC1(C)CCCN1S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is MTSSMUHXXCEMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(2)8-3-9-14(12)17(15,16)11-6-4-10(13)5-7-11/h4-7H,3,8-9,13H2,1-2H3.
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline?
4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 254.35 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 63215909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).