(4-acetamidothiolan-3-yl) acetate

C8H13NO3S — CID 2865112

IUPAC(4-acetamidothiolan-3-yl) acetate
SMILESCC(=O)NC1CSCC1OC(C)=O
InChIInChI=1S/C8H13NO3S/c1-5(10)9-7-3-13-4-8(7)12-6(2)11/h7-8H,3-4H2,1-2H3,(H,9,10)
InChIKeyZLEQVDXOSCNDQA-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.17
Rot. Bonds2

About (4-acetamidothiolan-3-yl) acetate

(4-acetamidothiolan-3-yl) acetate (PubChem CID 2865112) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is (4-acetamidothiolan-3-yl) acetate.

Molecular Properties

Compound Name(4-acetamidothiolan-3-yl) acetate
PubChem CID2865112
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name(4-acetamidothiolan-3-yl) acetate
SMILESCC(=O)NC1CSCC1OC(C)=O
InChIInChI=1S/C8H13NO3S/c1-5(10)9-7-3-13-4-8(7)12-6(2)11/h7-8H,3-4H2,1-2H3,(H,9,10)
InChIKeyZLEQVDXOSCNDQA-UHFFFAOYSA-N
XLogP0.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-acetamidothiolan-3-yl) acetate?
The IUPAC name of (4-acetamidothiolan-3-yl) acetate (CID 2865112) is (4-acetamidothiolan-3-yl) acetate.
What is the SMILES notation for (4-acetamidothiolan-3-yl) acetate?
The canonical SMILES for (4-acetamidothiolan-3-yl) acetate is CC(=O)NC1CSCC1OC(C)=O.
What is the InChIKey of (4-acetamidothiolan-3-yl) acetate?
The InChIKey is ZLEQVDXOSCNDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-5(10)9-7-3-13-4-8(7)12-6(2)11/h7-8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of (4-acetamidothiolan-3-yl) acetate?
(4-acetamidothiolan-3-yl) acetate has a molecular weight of 203.26 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidothiolan-3-yl) acetate is sourced from PubChem (CID 2865112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).