[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

C14H24N2O2S2 — CID 83057755

IUPAC[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(C)c(CN)s1
InChIInChI=1S/C14H24N2O2S2/c1-3-6-12-7-4-5-8-16(12)20(17,18)14-9-11(2)13(10-15)19-14/h9,12H,3-8,10,15H2,1-2H3
InChIKeyXGLZEXMYCMDGBC-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.86
Rot. Bonds5

About [3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (PubChem CID 83057755) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is [3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
PubChem CID83057755
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(C)c(CN)s1
InChIInChI=1S/C14H24N2O2S2/c1-3-6-12-7-4-5-8-16(12)20(17,18)14-9-11(2)13(10-15)19-14/h9,12H,3-8,10,15H2,1-2H3
InChIKeyXGLZEXMYCMDGBC-UHFFFAOYSA-N
XLogP2.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83044541
1-[5-(chloromethyl)-4-methylthiophen-2-yl]sulfonyl-2-ethylazepane
CID 104692838
2-(2-bromoethyl)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80671382
[4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83057460
[5-(3-ethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanamine
CID 113419419
[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988663
5-(2-ethylazepan-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104689156
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-2-(chloromethyl)piperidine
CID 79989386
[3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 83053469
5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 83053526
N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine
CID 83046357
N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83046351

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (CID 83057755) is [3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is CCCC1CCCCN1S(=O)(=O)c1cc(C)c(CN)s1.
What is the InChIKey of [3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is XGLZEXMYCMDGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-3-6-12-7-4-5-8-16(12)20(17,18)14-9-11(2)13(10-15)19-14/h9,12H,3-8,10,15H2,1-2H3.
What are the key properties of [3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 316.49 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 83057755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).