2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide

C10H19NO3S — CID 97414551

IUPAC2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide
SMILESCCOCC(=O)NC[C@]1(OC)CCSC1
InChIInChI=1S/C10H19NO3S/c1-3-14-6-9(12)11-7-10(13-2)4-5-15-8-10/h3-8H2,1-2H3,(H,11,12)/t10-/m1/s1
InChIKeyOYDWWADQCBPCQF-SNVBAGLBSA-N
MW233.33 g/mol
LogP0.66
Rot. Bonds6

About 2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide

2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide (PubChem CID 97414551) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide
PubChem CID97414551
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide
SMILESCCOCC(=O)NC[C@]1(OC)CCSC1
InChIInChI=1S/C10H19NO3S/c1-3-14-6-9(12)11-7-10(13-2)4-5-15-8-10/h3-8H2,1-2H3,(H,11,12)/t10-/m1/s1
InChIKeyOYDWWADQCBPCQF-SNVBAGLBSA-N
XLogP0.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide (CID 97414551) is 2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide is CCOCC(=O)NC[C@]1(OC)CCSC1.
What is the InChIKey of 2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide?
The InChIKey is OYDWWADQCBPCQF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-3-14-6-9(12)11-7-10(13-2)4-5-15-8-10/h3-8H2,1-2H3,(H,11,12)/t10-/m1/s1.
What are the key properties of 2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide?
2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide has a molecular weight of 233.33 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[(3R)-3-methoxythiolan-3-yl]methyl]acetamide is sourced from PubChem (CID 97414551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).