N-(thiiren-2-ylmethyl)acetamide

C5H7NOS — CID 130350306

IUPACN-(thiiren-2-ylmethyl)acetamide
SMILESCC(=O)NCC1=CS1
InChIInChI=1S/C5H7NOS/c1-4(7)6-2-5-3-8-5/h3H,2H2,1H3,(H,6,7)
InChIKeyVIIOGXMLEUOVGG-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.71
Rot. Bonds2

About N-(thiiren-2-ylmethyl)acetamide

N-(thiiren-2-ylmethyl)acetamide (PubChem CID 130350306) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is N-(thiiren-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(thiiren-2-ylmethyl)acetamide
PubChem CID130350306
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC NameN-(thiiren-2-ylmethyl)acetamide
SMILESCC(=O)NCC1=CS1
InChIInChI=1S/C5H7NOS/c1-4(7)6-2-5-3-8-5/h3H,2H2,1H3,(H,6,7)
InChIKeyVIIOGXMLEUOVGG-UHFFFAOYSA-N
XLogP0.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thiiren-2-ylmethyl)acetamide?
The IUPAC name of N-(thiiren-2-ylmethyl)acetamide (CID 130350306) is N-(thiiren-2-ylmethyl)acetamide.
What is the SMILES notation for N-(thiiren-2-ylmethyl)acetamide?
The canonical SMILES for N-(thiiren-2-ylmethyl)acetamide is CC(=O)NCC1=CS1.
What is the InChIKey of N-(thiiren-2-ylmethyl)acetamide?
The InChIKey is VIIOGXMLEUOVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-4(7)6-2-5-3-8-5/h3H,2H2,1H3,(H,6,7).
What are the key properties of N-(thiiren-2-ylmethyl)acetamide?
N-(thiiren-2-ylmethyl)acetamide has a molecular weight of 129.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiiren-2-ylmethyl)acetamide is sourced from PubChem (CID 130350306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).