1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine

C15H19FN2O3S — CID 120715050

IUPAC1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2oc3ccc(F)cc3c2C)C1
InChIInChI=1S/C15H19FN2O3S/c1-10-13-8-11(16)5-6-14(13)21-15(10)22(19,20)18-7-3-4-12(9-18)17-2/h5-6,8,12,17H,3-4,7,9H2,1-2H3
InChIKeyGSWPMZDHFMLPRQ-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.25
Rot. Bonds3

About 1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine

1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine (PubChem CID 120715050) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine
PubChem CID120715050
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2oc3ccc(F)cc3c2C)C1
InChIInChI=1S/C15H19FN2O3S/c1-10-13-8-11(16)5-6-14(13)21-15(10)22(19,20)18-7-3-4-12(9-18)17-2/h5-6,8,12,17H,3-4,7,9H2,1-2H3
InChIKeyGSWPMZDHFMLPRQ-UHFFFAOYSA-N
XLogP2.25
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine (CID 120715050) is 1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2oc3ccc(F)cc3c2C)C1.
What is the InChIKey of 1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine?
The InChIKey is GSWPMZDHFMLPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-10-13-8-11(16)5-6-14(13)21-15(10)22(19,20)18-7-3-4-12(9-18)17-2/h5-6,8,12,17H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine?
1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine has a molecular weight of 326.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)sulfonyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 120715050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).