1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine

C14H18N2OS — CID 107783670

IUPAC1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccoc2C)nc1
InChIInChI=1S/C14H18N2OS/c1-3-12(15)8-11-4-5-14(16-9-11)18-13-6-7-17-10(13)2/h4-7,9,12H,3,8,15H2,1-2H3
InChIKeyIGDFFONTFQGULU-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.41
Rot. Bonds5

About 1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine

1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine (PubChem CID 107783670) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine
PubChem CID107783670
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccoc2C)nc1
InChIInChI=1S/C14H18N2OS/c1-3-12(15)8-11-4-5-14(16-9-11)18-13-6-7-17-10(13)2/h4-7,9,12H,3,8,15H2,1-2H3
InChIKeyIGDFFONTFQGULU-UHFFFAOYSA-N
XLogP3.41
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine (CID 107783670) is 1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(Sc2ccoc2C)nc1.
What is the InChIKey of 1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine?
The InChIKey is IGDFFONTFQGULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-12(15)8-11-4-5-14(16-9-11)18-13-6-7-17-10(13)2/h4-7,9,12H,3,8,15H2,1-2H3.
What are the key properties of 1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine?
1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 107783670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).