N-(1-methylsulfanylprop-2-enyl)acetamide

C6H11NOS — CID 88635703

IUPACN-(1-methylsulfanylprop-2-enyl)acetamide
SMILESC=CC(NC(C)=O)SC
InChIInChI=1S/C6H11NOS/c1-4-6(9-3)7-5(2)8/h4,6H,1H2,2-3H3,(H,7,8)
InChIKeyOZCNGPWTSQWAGG-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.00
Rot. Bonds3

About N-(1-methylsulfanylprop-2-enyl)acetamide

N-(1-methylsulfanylprop-2-enyl)acetamide (PubChem CID 88635703) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is N-(1-methylsulfanylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-(1-methylsulfanylprop-2-enyl)acetamide
PubChem CID88635703
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC NameN-(1-methylsulfanylprop-2-enyl)acetamide
SMILESC=CC(NC(C)=O)SC
InChIInChI=1S/C6H11NOS/c1-4-6(9-3)7-5(2)8/h4,6H,1H2,2-3H3,(H,7,8)
InChIKeyOZCNGPWTSQWAGG-UHFFFAOYSA-N
XLogP1.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylprop-2-enyl)acetamide?
The IUPAC name of N-(1-methylsulfanylprop-2-enyl)acetamide (CID 88635703) is N-(1-methylsulfanylprop-2-enyl)acetamide.
What is the SMILES notation for N-(1-methylsulfanylprop-2-enyl)acetamide?
The canonical SMILES for N-(1-methylsulfanylprop-2-enyl)acetamide is C=CC(NC(C)=O)SC.
What is the InChIKey of N-(1-methylsulfanylprop-2-enyl)acetamide?
The InChIKey is OZCNGPWTSQWAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-4-6(9-3)7-5(2)8/h4,6H,1H2,2-3H3,(H,7,8).
What are the key properties of N-(1-methylsulfanylprop-2-enyl)acetamide?
N-(1-methylsulfanylprop-2-enyl)acetamide has a molecular weight of 145.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylprop-2-enyl)acetamide is sourced from PubChem (CID 88635703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).