N-(1,3-oxathiolan-4-ylmethyl)acetamide

C6H11NO2S — CID 67191110

IUPACN-(1,3-oxathiolan-4-ylmethyl)acetamide
SMILESCC(=O)NCC1COCS1
InChIInChI=1S/C6H11NO2S/c1-5(8)7-2-6-3-9-4-10-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeySPNMXRPVBNWCAY-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.21
Rot. Bonds2

About N-(1,3-oxathiolan-4-ylmethyl)acetamide

N-(1,3-oxathiolan-4-ylmethyl)acetamide (PubChem CID 67191110) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-(1,3-oxathiolan-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-oxathiolan-4-ylmethyl)acetamide
PubChem CID67191110
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-(1,3-oxathiolan-4-ylmethyl)acetamide
SMILESCC(=O)NCC1COCS1
InChIInChI=1S/C6H11NO2S/c1-5(8)7-2-6-3-9-4-10-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeySPNMXRPVBNWCAY-UHFFFAOYSA-N
XLogP0.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxathiolan-4-ylmethyl)acetamide?
The IUPAC name of N-(1,3-oxathiolan-4-ylmethyl)acetamide (CID 67191110) is N-(1,3-oxathiolan-4-ylmethyl)acetamide.
What is the SMILES notation for N-(1,3-oxathiolan-4-ylmethyl)acetamide?
The canonical SMILES for N-(1,3-oxathiolan-4-ylmethyl)acetamide is CC(=O)NCC1COCS1.
What is the InChIKey of N-(1,3-oxathiolan-4-ylmethyl)acetamide?
The InChIKey is SPNMXRPVBNWCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-5(8)7-2-6-3-9-4-10-6/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of N-(1,3-oxathiolan-4-ylmethyl)acetamide?
N-(1,3-oxathiolan-4-ylmethyl)acetamide has a molecular weight of 161.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxathiolan-4-ylmethyl)acetamide is sourced from PubChem (CID 67191110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).