N-(2-methylsulfinylethyl)prop-2-enamide

C6H11NO2S — CID 19026483

IUPACN-(2-methylsulfinylethyl)prop-2-enamide
SMILESC=CC(=O)NCCS(C)=O
InChIInChI=1S/C6H11NO2S/c1-3-6(8)7-4-5-10(2)9/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyKRTUNZYCQKPZLT-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.33
Rot. Bonds4

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

N-(2-methylsulfinylethyl)prop-2-enamide (PubChem CID 19026483) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)prop-2-enamide
PubChem CID19026483
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-(2-methylsulfinylethyl)prop-2-enamide
SMILESC=CC(=O)NCCS(C)=O
InChIInChI=1S/C6H11NO2S/c1-3-6(8)7-4-5-10(2)9/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyKRTUNZYCQKPZLT-UHFFFAOYSA-N
XLogP-0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.33
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)prop-2-enamide?
The IUPAC name of N-(2-methylsulfinylethyl)prop-2-enamide (CID 19026483) is N-(2-methylsulfinylethyl)prop-2-enamide.
What is the SMILES notation for N-(2-methylsulfinylethyl)prop-2-enamide?
The canonical SMILES for N-(2-methylsulfinylethyl)prop-2-enamide is C=CC(=O)NCCS(C)=O.
What is the InChIKey of N-(2-methylsulfinylethyl)prop-2-enamide?
The InChIKey is KRTUNZYCQKPZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-3-6(8)7-4-5-10(2)9/h3H,1,4-5H2,2H3,(H,7,8).
What are the key properties of N-(2-methylsulfinylethyl)prop-2-enamide?
N-(2-methylsulfinylethyl)prop-2-enamide has a molecular weight of 161.23 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)prop-2-enamide is sourced from PubChem (CID 19026483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).