4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline

C13H20N2O2S — CID 62935826

IUPAC4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline
SMILESCC1(C)CCN(S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-13(2)7-9-15(10-8-13)18(16,17)12-5-3-11(14)4-6-12/h3-6H,7-10,14H2,1-2H3
InChIKeyBFGLEWPUFZGEHB-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.08
Rot. Bonds2

About 4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline

4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline (PubChem CID 62935826) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline
PubChem CID62935826
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline
SMILESCC1(C)CCN(S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-13(2)7-9-15(10-8-13)18(16,17)12-5-3-11(14)4-6-12/h3-6H,7-10,14H2,1-2H3
InChIKeyBFGLEWPUFZGEHB-UHFFFAOYSA-N
XLogP2.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.08
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-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 104600089
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline
CID 62937387
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 63215909
4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline
CID 59565071
1-[4-(bromomethyl)phenyl]sulfonyl-4,4-dimethylazepane
CID 65481831
[5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 62932708
3-chloro-5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylaniline
CID 62937558
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
4-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219591

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline (CID 62935826) is 4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline is CC1(C)CCN(S(=O)(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline?
The InChIKey is BFGLEWPUFZGEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2)7-9-15(10-8-13)18(16,17)12-5-3-11(14)4-6-12/h3-6H,7-10,14H2,1-2H3.
What are the key properties of 4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline?
4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline has a molecular weight of 268.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 62935826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).