4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline

C14H22N2O2S — CID 104600089

IUPAC4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
SMILESCC(C)C1CCN(S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-11(2)12-7-9-16(10-8-12)19(17,18)14-5-3-13(15)4-6-14/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyRUHZIKOAAIDWLX-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.33
Rot. Bonds3

About 4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline

4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline (PubChem CID 104600089) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
PubChem CID104600089
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
SMILESCC(C)C1CCN(S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-11(2)12-7-9-16(10-8-12)19(17,18)14-5-3-13(15)4-6-14/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyRUHZIKOAAIDWLX-UHFFFAOYSA-N
XLogP2.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.33
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

4-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219591
2-[4-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 103721169
4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103505048
4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62935826
1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974952
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79175051
3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103504991
1-[1-[4-(methylsulfonylmethyl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975061
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099
[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-pyridin-3-ylmethanol
CID 89185895

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline (CID 104600089) is 4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline is CC(C)C1CCN(S(=O)(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline?
The InChIKey is RUHZIKOAAIDWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)12-7-9-16(10-8-12)19(17,18)14-5-3-13(15)4-6-14/h3-6,11-12H,7-10,15H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline?
4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline has a molecular weight of 282.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 104600089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).