N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine

C13H22N2O3S2 — CID 102971861

IUPACN-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1sccc1S(=O)(=O)N1CCCC(OC)C1
InChIInChI=1S/C13H22N2O3S2/c1-3-14-9-12-13(6-8-19-12)20(16,17)15-7-4-5-11(10-15)18-2/h6,8,11,14H,3-5,7,9-10H2,1-2H3
InChIKeyXKTKNWRJUMZXTK-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.66
Rot. Bonds6

About N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine

N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine (PubChem CID 102971861) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
PubChem CID102971861
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC NameN-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1sccc1S(=O)(=O)N1CCCC(OC)C1
InChIInChI=1S/C13H22N2O3S2/c1-3-14-9-12-13(6-8-19-12)20(16,17)15-7-4-5-11(10-15)18-2/h6,8,11,14H,3-5,7,9-10H2,1-2H3
InChIKeyXKTKNWRJUMZXTK-UHFFFAOYSA-N
XLogP1.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)thiophen-2-yl]methyl]ethanamine
CID 79936070
[3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 103541448
1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine
CID 106590013
2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide
CID 106093062
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
methyl 3-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 122268434
[4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol
CID 102970827
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801
[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970851
1-[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]-N-methylmethanamine
CID 102971758
N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 114597734
[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol
CID 102970866

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine (CID 102971861) is N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine is CCNCc1sccc1S(=O)(=O)N1CCCC(OC)C1.
What is the InChIKey of N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
The InChIKey is XKTKNWRJUMZXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-3-14-9-12-13(6-8-19-12)20(16,17)15-7-4-5-11(10-15)18-2/h6,8,11,14H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine?
N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine has a molecular weight of 318.46 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 102971861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).