N-(2-methylsulfanylethyl)prop-2-enamide

C6H11NOS — CID 10240938

IUPACN-(2-methylsulfanylethyl)prop-2-enamide
SMILESC=CC(=O)NCCSC
InChIInChI=1S/C6H11NOS/c1-3-6(8)7-4-5-9-2/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyZVBJETKVMFHLMI-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.65
Rot. Bonds4

About N-(2-methylsulfanylethyl)prop-2-enamide

N-(2-methylsulfanylethyl)prop-2-enamide (PubChem CID 10240938) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)prop-2-enamide
PubChem CID10240938
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC NameN-(2-methylsulfanylethyl)prop-2-enamide
SMILESC=CC(=O)NCCSC
InChIInChI=1S/C6H11NOS/c1-3-6(8)7-4-5-9-2/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyZVBJETKVMFHLMI-UHFFFAOYSA-N
XLogP0.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)prop-2-enamide?
The IUPAC name of N-(2-methylsulfanylethyl)prop-2-enamide (CID 10240938) is N-(2-methylsulfanylethyl)prop-2-enamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)prop-2-enamide?
The canonical SMILES for N-(2-methylsulfanylethyl)prop-2-enamide is C=CC(=O)NCCSC.
What is the InChIKey of N-(2-methylsulfanylethyl)prop-2-enamide?
The InChIKey is ZVBJETKVMFHLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-3-6(8)7-4-5-9-2/h3H,1,4-5H2,2H3,(H,7,8).
What are the key properties of N-(2-methylsulfanylethyl)prop-2-enamide?
N-(2-methylsulfanylethyl)prop-2-enamide has a molecular weight of 145.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)prop-2-enamide is sourced from PubChem (CID 10240938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).