3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline

C14H22N2O2S — CID 43256117

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline
SMILESCc1cc(N)cc(S(=O)(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C14H22N2O2S/c1-10-5-13(15)7-14(6-10)19(17,18)16-8-11(2)4-12(3)9-16/h5-7,11-12H,4,8-9,15H2,1-3H3
InChIKeyXOCIXFOIJQLLNF-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.24
Rot. Bonds2

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline (PubChem CID 43256117) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline
PubChem CID43256117
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline
SMILESCc1cc(N)cc(S(=O)(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C14H22N2O2S/c1-10-5-13(15)7-14(6-10)19(17,18)16-8-11(2)4-12(3)9-16/h5-7,11-12H,4,8-9,15H2,1-3H3
InChIKeyXOCIXFOIJQLLNF-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline
CID 43100497
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
CID 43097472
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43255635
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline
CID 114624899
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
CID 46406612
5-(3,5-dimethylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213569
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079490
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline (CID 43256117) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline is Cc1cc(N)cc(S(=O)(=O)N2CC(C)CC(C)C2)c1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline?
The InChIKey is XOCIXFOIJQLLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-5-13(15)7-14(6-10)19(17,18)16-8-11(2)4-12(3)9-16/h5-7,11-12H,4,8-9,15H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline has a molecular weight of 282.41 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline is sourced from PubChem (CID 43256117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).