N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine

C15H26N2O2S2 — CID 114597734

IUPACN-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1sccc1S(=O)(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C15H26N2O2S2/c1-5-16-9-14-15(6-7-20-14)21(18,19)17-10-11(2)8-12(3)13(17)4/h6-7,11-13,16H,5,8-10H2,1-4H3
InChIKeyORXNYKHIUZUFGV-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.91
Rot. Bonds5

About N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine

N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine (PubChem CID 114597734) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
PubChem CID114597734
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1sccc1S(=O)(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C15H26N2O2S2/c1-5-16-9-14-15(6-7-20-14)21(18,19)17-10-11(2)8-12(3)13(17)4/h6-7,11-13,16H,5,8-10H2,1-4H3
InChIKeyORXNYKHIUZUFGV-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine (CID 114597734) is N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine is CCNCc1sccc1S(=O)(=O)N1CC(C)CC(C)C1C.
What is the InChIKey of N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
The InChIKey is ORXNYKHIUZUFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-5-16-9-14-15(6-7-20-14)21(18,19)17-10-11(2)8-12(3)13(17)4/h6-7,11-13,16H,5,8-10H2,1-4H3.
What are the key properties of N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine has a molecular weight of 330.52 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 114597734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).