[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine

C16H26N2O2S — CID 106997178

IUPAC[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCc1cc(CN)ccc1S(=O)(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H26N2O2S/c1-11-7-12(2)14(4)18(10-11)21(19,20)16-6-5-15(9-17)8-13(16)3/h5-6,8,11-12,14H,7,9-10,17H2,1-4H3
InChIKeyKSLHBTXIKBAADI-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.51
Rot. Bonds3

About [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine

[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 106997178) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
PubChem CID106997178
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCc1cc(CN)ccc1S(=O)(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H26N2O2S/c1-11-7-12(2)14(4)18(10-11)21(19,20)16-6-5-15(9-17)8-13(16)3/h5-6,8,11-12,14H,7,9-10,17H2,1-4H3
InChIKeyKSLHBTXIKBAADI-UHFFFAOYSA-N
XLogP2.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylfuran-2-yl]methanamine
CID 114597738
[3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106996541
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
CID 114594256
2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591958
[4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine
CID 102704769
2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591939
[2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 114592907
1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594707
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol
CID 106996722
1-[4-(aminomethyl)-2-methylphenyl]sulfonylpyrrolidine-2-carboxamide
CID 106996648
1-(4-bromo-3-methylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594701
[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 114597642

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine (CID 106997178) is [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine is Cc1cc(CN)ccc1S(=O)(=O)N1CC(C)CC(C)C1C.
What is the InChIKey of [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is KSLHBTXIKBAADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-7-12(2)14(4)18(10-11)21(19,20)16-6-5-15(9-17)8-13(16)3/h5-6,8,11-12,14H,7,9-10,17H2,1-4H3.
What are the key properties of [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine?
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 310.46 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 106997178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).