N-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide

C9H16N2O3S — CID 67192426

IUPACN-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide
SMILESCC(=O)NCC1OCSC1CNC(C)=O
InChIInChI=1S/C9H16N2O3S/c1-6(12)10-3-8-9(15-5-14-8)4-11-7(2)13/h8-9H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyQMXRDSSMPIAHBV-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.28
Rot. Bonds4

About N-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide

N-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide (PubChem CID 67192426) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide
PubChem CID67192426
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide
SMILESCC(=O)NCC1OCSC1CNC(C)=O
InChIInChI=1S/C9H16N2O3S/c1-6(12)10-3-8-9(15-5-14-8)4-11-7(2)13/h8-9H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyQMXRDSSMPIAHBV-UHFFFAOYSA-N
XLogP-0.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide?
The IUPAC name of N-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide (CID 67192426) is N-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide?
The canonical SMILES for N-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide is CC(=O)NCC1OCSC1CNC(C)=O.
What is the InChIKey of N-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide?
The InChIKey is QMXRDSSMPIAHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-6(12)10-3-8-9(15-5-14-8)4-11-7(2)13/h8-9H,3-5H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide?
N-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide has a molecular weight of 232.30 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(acetamidomethyl)-1,3-oxathiolan-5-yl]methyl]acetamide is sourced from PubChem (CID 67192426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).