5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline

C15H24N2O2S — CID 43100497

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline
SMILESCc1cc(S(=O)(=O)N2CC(C)CC(C)C2)cc(N)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-5-11(2)9-17(8-10)20(18,19)14-6-12(3)13(4)15(16)7-14/h6-7,10-11H,5,8-9,16H2,1-4H3
InChIKeyAQNHUEQCVXQTOF-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.55
Rot. Bonds2

About 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline (PubChem CID 43100497) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline
PubChem CID43100497
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline
SMILESCc1cc(S(=O)(=O)N2CC(C)CC(C)C2)cc(N)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-5-11(2)9-17(8-10)20(18,19)14-6-12(3)13(4)15(16)7-14/h6-7,10-11H,5,8-9,16H2,1-4H3
InChIKeyAQNHUEQCVXQTOF-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'}

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Related Compounds

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CID 43109484
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline
CID 43256117
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
CID 43097472
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline
CID 114624899
[4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81194847
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
4-(3-amino-4,5-dimethylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63594763
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
CID 46406612
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

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline (CID 43100497) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline is Cc1cc(S(=O)(=O)N2CC(C)CC(C)C2)cc(N)c1C.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline?
The InChIKey is AQNHUEQCVXQTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-5-11(2)9-17(8-10)20(18,19)14-6-12(3)13(4)15(16)7-14/h6-7,10-11H,5,8-9,16H2,1-4H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline?
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-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 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline is sourced from PubChem (CID 43100497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).