(E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide

C5H9NO2S — CID 162923995

IUPAC(E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide
SMILESCNC(=O)/C=C/[S@@](C)=O
InChIInChI=1S/C5H9NO2S/c1-6-5(7)3-4-9(2)8/h3-4H,1-2H3,(H,6,7)/b4-3+/t9-/m1/s1
InChIKeyKDUDZRNHMJZXLL-CDAZIORVSA-N
MW147.20 g/mol
LogP-0.38
Rot. Bonds2

About (E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide

(E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide (PubChem CID 162923995) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is (E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide
PubChem CID162923995
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name(E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide
SMILESCNC(=O)/C=C/[S@@](C)=O
InChIInChI=1S/C5H9NO2S/c1-6-5(7)3-4-9(2)8/h3-4H,1-2H3,(H,6,7)/b4-3+/t9-/m1/s1
InChIKeyKDUDZRNHMJZXLL-CDAZIORVSA-N
XLogP-0.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.38
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 (E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide (CID 162923995) is (E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide is CNC(=O)/C=C/[S@@](C)=O.
What is the InChIKey of (E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide?
The InChIKey is KDUDZRNHMJZXLL-CDAZIORVSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-6-5(7)3-4-9(2)8/h3-4H,1-2H3,(H,6,7)/b4-3+/t9-/m1/s1.
What are the key properties of (E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide?
(E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide has a molecular weight of 147.20 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-[(R)-methylsulfinyl]prop-2-enamide is sourced from PubChem (CID 162923995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).