3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline

C14H22N2O2S — CID 43093346

IUPAC3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline
SMILESCc1ccc(N)cc1S(=O)(=O)N1C(C)CCCC1C
InChIInChI=1S/C14H22N2O2S/c1-10-7-8-13(15)9-14(10)19(17,18)16-11(2)5-4-6-12(16)3/h7-9,11-12H,4-6,15H2,1-3H3
InChIKeyHBYZWDJNRMHGJK-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.53
Rot. Bonds2

About 3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline

3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline (PubChem CID 43093346) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline.

Molecular Properties

Compound Name3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline
PubChem CID43093346
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline
SMILESCc1ccc(N)cc1S(=O)(=O)N1C(C)CCCC1C
InChIInChI=1S/C14H22N2O2S/c1-10-7-8-13(15)9-14(10)19(17,18)16-11(2)5-4-6-12(16)3/h7-9,11-12H,4-6,15H2,1-3H3
InChIKeyHBYZWDJNRMHGJK-UHFFFAOYSA-N
XLogP2.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.53
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-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylbenzoic acid
CID 43105856
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 2920428
2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline
CID 43257892
4-methyl-3-(3-methylcyclohexyl)sulfonylaniline
CID 81190873
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 106997230
4-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 65206811
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine
CID 104968731
2-bromo-5-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 115328626
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-5-nitroaniline
CID 104968713
1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
CID 81460569
5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine
CID 104968716
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline?
The IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline (CID 43093346) is 3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline.
What is the SMILES notation for 3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline?
The canonical SMILES for 3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline is Cc1ccc(N)cc1S(=O)(=O)N1C(C)CCCC1C.
What is the InChIKey of 3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline?
The InChIKey is HBYZWDJNRMHGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-7-8-13(15)9-14(10)19(17,18)16-11(2)5-4-6-12(16)3/h7-9,11-12H,4-6,15H2,1-3H3.
What are the key properties of 3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline?
3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline has a molecular weight of 282.41 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline is sourced from PubChem (CID 43093346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).