3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline

C15H24N2O2S — CID 79888899

IUPAC3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline
SMILESCCC1CCCN(S(=O)(=O)c2cc(C)cc(N)c2C)C1
InChIInChI=1S/C15H24N2O2S/c1-4-13-6-5-7-17(10-13)20(18,19)15-9-11(2)8-14(16)12(15)3/h8-9,13H,4-7,10,16H2,1-3H3
InChIKeyBTTLIMBBHDSRNQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.70
Rot. Bonds3

About 3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline

3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline (PubChem CID 79888899) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline.

Molecular Properties

Compound Name3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline
PubChem CID79888899
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline
SMILESCCC1CCCN(S(=O)(=O)c2cc(C)cc(N)c2C)C1
InChIInChI=1S/C15H24N2O2S/c1-4-13-6-5-7-17(10-13)20(18,19)15-9-11(2)8-14(16)12(15)3/h8-9,13H,4-7,10,16H2,1-3H3
InChIKeyBTTLIMBBHDSRNQ-UHFFFAOYSA-N
XLogP2.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.70
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-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 102955371
3-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79884603
3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79889840
1-[5-chloro-3-(chloromethyl)-2-methylphenyl]sulfonyl-3-ethylpiperidine
CID 82879451
3-(4-ethoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79885293
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline
CID 115329743
[1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43590112
3-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-2-methylaniline
CID 106585706
3-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 103530363
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline
CID 79888974
1-(3-amino-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
(3R)-1-(2,5-dimethyl-3-methylsulfonylphenyl)sulfonyl-3-methylpiperidine
CID 95156648

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline?
The IUPAC name of 3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline (CID 79888899) is 3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline.
What is the SMILES notation for 3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline?
The canonical SMILES for 3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline is CCC1CCCN(S(=O)(=O)c2cc(C)cc(N)c2C)C1.
What is the InChIKey of 3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline?
The InChIKey is BTTLIMBBHDSRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-13-6-5-7-17(10-13)20(18,19)15-9-11(2)8-14(16)12(15)3/h8-9,13H,4-7,10,16H2,1-3H3.
What are the key properties of 3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline?
3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline has a molecular weight of 296.44 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline is sourced from PubChem (CID 79888899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).