[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine

C13H22N2O4S — CID 106590010

IUPAC[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine
SMILESCOCC1CCCN(S(=O)(=O)c2cc(CN)oc2C)C1
InChIInChI=1S/C13H22N2O4S/c1-10-13(6-12(7-14)19-10)20(16,17)15-5-3-4-11(8-15)9-18-2/h6,11H,3-5,7-9,14H2,1-2H3
InChIKeyNDGQKJMNWZLATL-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.09
Rot. Bonds5

About [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine

[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine (PubChem CID 106590010) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine
PubChem CID106590010
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine
SMILESCOCC1CCCN(S(=O)(=O)c2cc(CN)oc2C)C1
InChIInChI=1S/C13H22N2O4S/c1-10-13(6-12(7-14)19-10)20(16,17)15-5-3-4-11(8-15)9-18-2/h6,11H,3-5,7-9,14H2,1-2H3
InChIKeyNDGQKJMNWZLATL-UHFFFAOYSA-N
XLogP1.09
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-carboxylic acid
CID 106586193
3-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-2-methylaniline
CID 106585706
[4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine
CID 106590007
5-(aminomethyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]furan-3-sulfonamide
CID 106052876
3,5-dichloro-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106585755
1-[2-(chloromethyl)phenyl]sulfonyl-3-(methoxymethyl)piperidine
CID 106589952
5-[3-(methoxymethyl)piperidin-1-yl]sulfonylfuran-2-carbaldehyde
CID 106589861
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
CID 110869927
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 96567876
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 64571052
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334

Frequently Asked Questions

What is the IUPAC name of [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine?
The IUPAC name of [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine (CID 106590010) is [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine.
What is the SMILES notation for [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine?
The canonical SMILES for [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine is COCC1CCCN(S(=O)(=O)c2cc(CN)oc2C)C1.
What is the InChIKey of [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine?
The InChIKey is NDGQKJMNWZLATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-10-13(6-12(7-14)19-10)20(16,17)15-5-3-4-11(8-15)9-18-2/h6,11H,3-5,7-9,14H2,1-2H3.
What are the key properties of [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine?
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine has a molecular weight of 302.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-yl]methanamine is sourced from PubChem (CID 106590010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).