3-(3-methylsulfanylphenyl)prop-2-enamide

C10H11NOS — CID 169481437

IUPAC3-(3-methylsulfanylphenyl)prop-2-enamide
SMILESCSc1cccc(C=CC(N)=O)c1
InChIInChI=1S/C10H11NOS/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H2,11,12)
InChIKeyJSZMXPVUCQIGHC-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.91
Rot. Bonds3

About 3-(3-methylsulfanylphenyl)prop-2-enamide

3-(3-methylsulfanylphenyl)prop-2-enamide (PubChem CID 169481437) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(3-methylsulfanylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-methylsulfanylphenyl)prop-2-enamide
PubChem CID169481437
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name3-(3-methylsulfanylphenyl)prop-2-enamide
SMILESCSc1cccc(C=CC(N)=O)c1
InChIInChI=1S/C10H11NOS/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H2,11,12)
InChIKeyJSZMXPVUCQIGHC-UHFFFAOYSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylsulfanylphenyl)but-3-enoic acid
CID 170483116
(Z)-3-(3-ethenylphenyl)prop-2-enamide
CID 55267303
(Z)-3-(3-bromophenyl)prop-2-enamide
CID 11775854
(Z)-3-(3-iodophenyl)prop-2-enamide
CID 131504945
3-(3-acetamidophenyl)prop-2-enamide
CID 169482180
3-(3-methylsulfanylphenyl)prop-2-en-1-amine
CID 169463170
(Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876888
(Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide
CID 170877551
1-(3-chloroprop-1-enyl)-3-methylsulfanylbenzene
CID 169476898
1-(3-bromoprop-1-enyl)-3-methylsulfanylbenzene
CID 169475048
(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 142522237
3-(3-nitrophenyl)prop-2-enamide
CID 692292

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfanylphenyl)prop-2-enamide?
The IUPAC name of 3-(3-methylsulfanylphenyl)prop-2-enamide (CID 169481437) is 3-(3-methylsulfanylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-methylsulfanylphenyl)prop-2-enamide?
The canonical SMILES for 3-(3-methylsulfanylphenyl)prop-2-enamide is CSc1cccc(C=CC(N)=O)c1.
What is the InChIKey of 3-(3-methylsulfanylphenyl)prop-2-enamide?
The InChIKey is JSZMXPVUCQIGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H2,11,12).
What are the key properties of 3-(3-methylsulfanylphenyl)prop-2-enamide?
3-(3-methylsulfanylphenyl)prop-2-enamide has a molecular weight of 193.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfanylphenyl)prop-2-enamide is sourced from PubChem (CID 169481437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).