2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline

C16H26N2O2S — CID 114591939

IUPAC2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
SMILESCc1cc(N)c(C)c(S(=O)(=O)N2CC(C)CC(C)C2C)c1
InChIInChI=1S/C16H26N2O2S/c1-10-7-15(17)13(4)16(8-10)21(19,20)18-9-11(2)6-12(3)14(18)5/h7-8,11-12,14H,6,9,17H2,1-5H3
InChIKeyHSHFDERTXZIENS-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.94
Rot. Bonds2

About 2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline

2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline (PubChem CID 114591939) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
PubChem CID114591939
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
SMILESCc1cc(N)c(C)c(S(=O)(=O)N2CC(C)CC(C)C2C)c1
InChIInChI=1S/C16H26N2O2S/c1-10-7-15(17)13(4)16(8-10)21(19,20)18-9-11(2)6-12(3)14(18)5/h7-8,11-12,14H,6,9,17H2,1-5H3
InChIKeyHSHFDERTXZIENS-UHFFFAOYSA-N
XLogP2.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.94
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-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79889840
2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591958
[5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine
CID 114597738
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline
CID 79888974
2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591895
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106997178
3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591883
4-(3-amino-2,5-dimethylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 79889413
3-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 103530363
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107327541
2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
CID 79888757
1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594707

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline (CID 114591939) is 2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline is Cc1cc(N)c(C)c(S(=O)(=O)N2CC(C)CC(C)C2C)c1.
What is the InChIKey of 2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline?
The InChIKey is HSHFDERTXZIENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10-7-15(17)13(4)16(8-10)21(19,20)18-9-11(2)6-12(3)14(18)5/h7-8,11-12,14H,6,9,17H2,1-5H3.
What are the key properties of 2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline?
2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline has a molecular weight of 310.46 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 114591939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).