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

C15H24N2O2S — CID 63156931

IUPAC2-(4,4-diethylpiperidin-1-yl)sulfonylaniline
SMILESCCC1(CC)CCN(S(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-15(4-2)9-11-17(12-10-15)20(18,19)14-8-6-5-7-13(14)16/h5-8H,3-4,9-12,16H2,1-2H3
InChIKeyKRMPQAIDTKAULH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.86
Rot. Bonds4

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

2-(4,4-diethylpiperidin-1-yl)sulfonylaniline (PubChem CID 63156931) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)sulfonylaniline
PubChem CID63156931
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(4,4-diethylpiperidin-1-yl)sulfonylaniline
SMILESCCC1(CC)CCN(S(=O)(=O)c2ccccc2N)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-15(4-2)9-11-17(12-10-15)20(18,19)14-8-6-5-7-13(14)16/h5-8H,3-4,9-12,16H2,1-2H3
InChIKeyKRMPQAIDTKAULH-UHFFFAOYSA-N
XLogP2.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.86
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-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 63161871
2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63157067
2-thiomorpholin-4-ylsulfonylaniline
CID 28786580
4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 63162213
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63604949
[2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 63159552
N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide
CID 61109197
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylaniline
CID 61114608
5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63162212
1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine
CID 63421307
2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide
CID 61139917
2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 62929979

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)sulfonylaniline (CID 63156931) is 2-(4,4-diethylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)sulfonylaniline is CCC1(CC)CCN(S(=O)(=O)c2ccccc2N)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)sulfonylaniline?
The InChIKey is KRMPQAIDTKAULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-15(4-2)9-11-17(12-10-15)20(18,19)14-8-6-5-7-13(14)16/h5-8H,3-4,9-12,16H2,1-2H3.
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)sulfonylaniline?
2-(4,4-diethylpiperidin-1-yl)sulfonylaniline has a molecular weight of 296.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 63156931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).