2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide

C12H17NO3S — CID 86799330

IUPAC2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide
SMILESCc1occc1SCC(=O)NC1CCOCC1
InChIInChI=1S/C12H17NO3S/c1-9-11(4-7-16-9)17-8-12(14)13-10-2-5-15-6-3-10/h4,7,10H,2-3,5-6,8H2,1H3,(H,13,14)
InChIKeyIJFGXSZLESRDFO-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.98
Rot. Bonds4

About 2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide

2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide (PubChem CID 86799330) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide
PubChem CID86799330
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide
SMILESCc1occc1SCC(=O)NC1CCOCC1
InChIInChI=1S/C12H17NO3S/c1-9-11(4-7-16-9)17-8-12(14)13-10-2-5-15-6-3-10/h4,7,10H,2-3,5-6,8H2,1H3,(H,13,14)
InChIKeyIJFGXSZLESRDFO-UHFFFAOYSA-N
XLogP1.98
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide (CID 86799330) is 2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide is Cc1occc1SCC(=O)NC1CCOCC1.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide?
The InChIKey is IJFGXSZLESRDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-11(4-7-16-9)17-8-12(14)13-10-2-5-15-6-3-10/h4,7,10H,2-3,5-6,8H2,1H3,(H,13,14).
What are the key properties of 2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide?
2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide has a molecular weight of 255.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 86799330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).