4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline

C14H22N2O2S — CID 63219174

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline
SMILESCCNc1ccc(S(=O)(=O)N2CCCC2(C)C)cc1
InChIInChI=1S/C14H22N2O2S/c1-4-15-12-6-8-13(9-7-12)19(17,18)16-11-5-10-14(16,2)3/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyLXSWYNAYMPTMKP-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.68
Rot. Bonds4

About 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline

4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline (PubChem CID 63219174) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline
PubChem CID63219174
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline
SMILESCCNc1ccc(S(=O)(=O)N2CCCC2(C)C)cc1
InChIInChI=1S/C14H22N2O2S/c1-4-15-12-6-8-13(9-7-12)19(17,18)16-11-5-10-14(16,2)3/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyLXSWYNAYMPTMKP-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 63217971
1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol
CID 107408422
4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 63215909
1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219211
N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 63162308
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
2-chloro-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 115330070
5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethyl-3-nitrothiophen-2-amine
CID 80731135
1-(3-bromo-4-methoxyphenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219127
[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 63220011
1-ethylsulfonyl-2,2-dimethylpyrrolidine
CID 63222055
2-chloro-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 112689420

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline (CID 63219174) is 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline is CCNc1ccc(S(=O)(=O)N2CCCC2(C)C)cc1.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline?
The InChIKey is LXSWYNAYMPTMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-15-12-6-8-13(9-7-12)19(17,18)16-11-5-10-14(16,2)3/h6-9,15H,4-5,10-11H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline?
4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline has a molecular weight of 282.41 g/mol, XLogP of 2.68, 4 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)sulfonyl-N-ethylaniline is sourced from PubChem (CID 63219174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).