1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine

C13H22N2O3S2 — CID 106590013

IUPAC1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1sccc1S(=O)(=O)N1CCCC(COC)C1
InChIInChI=1S/C13H22N2O3S2/c1-14-8-12-13(5-7-19-12)20(16,17)15-6-3-4-11(9-15)10-18-2/h5,7,11,14H,3-4,6,8-10H2,1-2H3
InChIKeyHYJUKUAHYMHUMG-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.51
Rot. Bonds6

About 1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine

1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine (PubChem CID 106590013) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine
PubChem CID106590013
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1sccc1S(=O)(=O)N1CCCC(COC)C1
InChIInChI=1S/C13H22N2O3S2/c1-14-8-12-13(5-7-19-12)20(16,17)15-6-3-4-11(9-15)10-18-2/h5,7,11,14H,3-4,6,8-10H2,1-2H3
InChIKeyHYJUKUAHYMHUMG-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 79187058
N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102971861
N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine
CID 66371904
2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide
CID 106050570
3-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide
CID 131891596
1-[2-(chloromethyl)phenyl]sulfonyl-3-(methoxymethyl)piperidine
CID 106589952
N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106588733
1-[(3R)-1-(3-methoxythiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124688256
4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-carboxylic acid
CID 106586193
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
CID 106589877
3-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-2-methylaniline
CID 106585706
N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
CID 106588741

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine (CID 106590013) is 1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine is CNCc1sccc1S(=O)(=O)N1CCCC(COC)C1.
What is the InChIKey of 1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is HYJUKUAHYMHUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-14-8-12-13(5-7-19-12)20(16,17)15-6-3-4-11(9-15)10-18-2/h5,7,11,14H,3-4,6,8-10H2,1-2H3.
What are the key properties of 1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine?
1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 318.46 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(methoxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106590013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).