5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one

C12H14N2O2S — CID 107780034

IUPAC5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one
SMILESCc1occc1SCCn1cc(N)ccc1=O
InChIInChI=1S/C12H14N2O2S/c1-9-11(4-6-16-9)17-7-5-14-8-10(13)2-3-12(14)15/h2-4,6,8H,5,7,13H2,1H3
InChIKeyAIWYSBWBKCCTBR-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.12
Rot. Bonds4

About 5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one

5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one (PubChem CID 107780034) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one
PubChem CID107780034
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one
SMILESCc1occc1SCCn1cc(N)ccc1=O
InChIInChI=1S/C12H14N2O2S/c1-9-11(4-6-16-9)17-7-5-14-8-10(13)2-3-12(14)15/h2-4,6,8H,5,7,13H2,1H3
InChIKeyAIWYSBWBKCCTBR-UHFFFAOYSA-N
XLogP2.12
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one (CID 107780034) is 5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one is Cc1occc1SCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one?
The InChIKey is AIWYSBWBKCCTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9-11(4-6-16-9)17-7-5-14-8-10(13)2-3-12(14)15/h2-4,6,8H,5,7,13H2,1H3.
What are the key properties of 5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one?
5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one has a molecular weight of 250.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2-methylfuran-3-yl)sulfanylethyl]pyridin-2-one is sourced from PubChem (CID 107780034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).