2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide

C9H13NOS2 — CID 47004940

IUPAC2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCSCC(=O)NCCc1cccs1
InChIInChI=1S/C9H13NOS2/c1-12-7-9(11)10-5-4-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3,(H,10,11)
InChIKeyQMPDCKVWRYSZOP-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.77
Rot. Bonds5

About 2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide

2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 47004940) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID47004940
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCSCC(=O)NCCc1cccs1
InChIInChI=1S/C9H13NOS2/c1-12-7-9(11)10-5-4-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3,(H,10,11)
InChIKeyQMPDCKVWRYSZOP-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide (CID 47004940) is 2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide is CSCC(=O)NCCc1cccs1.
What is the InChIKey of 2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is QMPDCKVWRYSZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-12-7-9(11)10-5-4-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3,(H,10,11).
What are the key properties of 2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 215.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 47004940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).