3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline

C15H24N2O2S — CID 43097472

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
SMILESCc1cc(N)cc(S(=O)(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-5-11(2)9-17(8-10)20(18,19)15-7-14(16)6-12(3)13(15)4/h6-7,10-11H,5,8-9,16H2,1-4H3
InChIKeyMERIGYTVLJXHBO-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.55
Rot. Bonds2

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline (PubChem CID 43097472) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
PubChem CID43097472
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
SMILESCc1cc(N)cc(S(=O)(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-5-11(2)9-17(8-10)20(18,19)15-7-14(16)6-12(3)13(15)4/h6-7,10-11H,5,8-9,16H2,1-4H3
InChIKeyMERIGYTVLJXHBO-UHFFFAOYSA-N
XLogP2.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline
CID 43100497
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline
CID 43256117
1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585667
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 43845453
(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7749543
[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43133136
3,4-dimethyl-5-(4-propylpiperazin-1-yl)sulfonylaniline
CID 28546952
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096527
4-bromo-2-(3,5-dimethylpiperidin-1-yl)sulfonylaniline
CID 54888558
(3S,5R)-3,5-dimethyl-1-(2-methylsulfonylphenyl)sulfonylpiperidine
CID 31534083
(3R,5R)-3,5-dimethyl-1-(2-methylsulfonylphenyl)sulfonylpiperidine
CID 31534082

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline (CID 43097472) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline is Cc1cc(N)cc(S(=O)(=O)N2CC(C)CC(C)C2)c1C.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline?
The InChIKey is MERIGYTVLJXHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-5-11(2)9-17(8-10)20(18,19)15-7-14(16)6-12(3)13(15)4/h6-7,10-11H,5,8-9,16H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline has a molecular weight of 296.44 g/mol, XLogP of 2.55, 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-4,5-dimethylaniline is sourced from PubChem (CID 43097472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).