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

C14H24N2O2S2 — CID 114597745

IUPACN-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine
SMILESCNCc1csc(S(=O)(=O)N2CC(C)CC(C)C2C)c1
InChIInChI=1S/C14H24N2O2S2/c1-10-5-11(2)12(3)16(8-10)20(17,18)14-6-13(7-15-4)9-19-14/h6,9-12,15H,5,7-8H2,1-4H3
InChIKeyXAKZZDPJOTVDOW-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.52
Rot. Bonds4

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

N-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine (PubChem CID 114597745) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine
PubChem CID114597745
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine
SMILESCNCc1csc(S(=O)(=O)N2CC(C)CC(C)C2C)c1
InChIInChI=1S/C14H24N2O2S2/c1-10-5-11(2)12(3)16(8-10)20(17,18)14-6-13(7-15-4)9-19-14/h6,9-12,15H,5,7-8H2,1-4H3
InChIKeyXAKZZDPJOTVDOW-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-N-methylmethanamine
CID 103541564
N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine
CID 66383875
N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine
CID 79166239
N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 114597734
4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 114140871
N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 114596495
[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol
CID 114597646
2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591939
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106997178
[6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol
CID 114597620
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107327541
N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106093112

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine (CID 114597745) is N-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine is CNCc1csc(S(=O)(=O)N2CC(C)CC(C)C2C)c1.
What is the InChIKey of N-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine?
The InChIKey is XAKZZDPJOTVDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-10-5-11(2)12(3)16(8-10)20(17,18)14-6-13(7-15-4)9-19-14/h6,9-12,15H,5,7-8H2,1-4H3.
What are the key properties of N-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine?
N-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine has a molecular weight of 316.49 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine is sourced from PubChem (CID 114597745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).