(2R)-2-(methylamino)-3-methylsulfanylpropanal

C5H11NOS — CID 657113

IUPAC(2R)-2-(methylamino)-3-methylsulfanylpropanal
SMILESCN[C@H](C=O)CSC
InChIInChI=1S/C5H11NOS/c1-6-5(3-7)4-8-2/h3,5-6H,4H2,1-2H3/t5-/m1/s1
InChIKeyUDEZBBXYJDAZOE-RXMQYKEDSA-N
MW133.22 g/mol
LogP0.14
Rot. Bonds4

About (2R)-2-(methylamino)-3-methylsulfanylpropanal

(2R)-2-(methylamino)-3-methylsulfanylpropanal (PubChem CID 657113) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (2R)-2-(methylamino)-3-methylsulfanylpropanal.

Molecular Properties

Compound Name(2R)-2-(methylamino)-3-methylsulfanylpropanal
PubChem CID657113
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(2R)-2-(methylamino)-3-methylsulfanylpropanal
SMILESCN[C@H](C=O)CSC
InChIInChI=1S/C5H11NOS/c1-6-5(3-7)4-8-2/h3,5-6H,4H2,1-2H3/t5-/m1/s1
InChIKeyUDEZBBXYJDAZOE-RXMQYKEDSA-N
XLogP0.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-3-methylsulfanylpropanal?
The IUPAC name of (2R)-2-(methylamino)-3-methylsulfanylpropanal (CID 657113) is (2R)-2-(methylamino)-3-methylsulfanylpropanal.
What is the SMILES notation for (2R)-2-(methylamino)-3-methylsulfanylpropanal?
The canonical SMILES for (2R)-2-(methylamino)-3-methylsulfanylpropanal is CN[C@H](C=O)CSC.
What is the InChIKey of (2R)-2-(methylamino)-3-methylsulfanylpropanal?
The InChIKey is UDEZBBXYJDAZOE-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NOS/c1-6-5(3-7)4-8-2/h3,5-6H,4H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-2-(methylamino)-3-methylsulfanylpropanal?
(2R)-2-(methylamino)-3-methylsulfanylpropanal has a molecular weight of 133.22 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-3-methylsulfanylpropanal is sourced from PubChem (CID 657113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).