(2R)-2-(ethylamino)-3-sulfanylpropanal

C5H11NOS — CID 91407300

IUPAC(2R)-2-(ethylamino)-3-sulfanylpropanal
SMILESCCN[C@H](C=O)CS
InChIInChI=1S/C5H11NOS/c1-2-6-5(3-7)4-8/h3,5-6,8H,2,4H2,1H3/t5-/m1/s1
InChIKeyQJLMVZVCRAQFQQ-RXMQYKEDSA-N
MW133.22 g/mol
LogP0.09
Rot. Bonds4

About (2R)-2-(ethylamino)-3-sulfanylpropanal

(2R)-2-(ethylamino)-3-sulfanylpropanal (PubChem CID 91407300) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (2R)-2-(ethylamino)-3-sulfanylpropanal.

Molecular Properties

Compound Name(2R)-2-(ethylamino)-3-sulfanylpropanal
PubChem CID91407300
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(2R)-2-(ethylamino)-3-sulfanylpropanal
SMILESCCN[C@H](C=O)CS
InChIInChI=1S/C5H11NOS/c1-2-6-5(3-7)4-8/h3,5-6,8H,2,4H2,1H3/t5-/m1/s1
InChIKeyQJLMVZVCRAQFQQ-RXMQYKEDSA-N
XLogP0.09
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R)-2-(ethylamino)-3-sulfanylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(ethylamino)-3-sulfanylpropanal?
The IUPAC name of (2R)-2-(ethylamino)-3-sulfanylpropanal (CID 91407300) is (2R)-2-(ethylamino)-3-sulfanylpropanal.
What is the SMILES notation for (2R)-2-(ethylamino)-3-sulfanylpropanal?
The canonical SMILES for (2R)-2-(ethylamino)-3-sulfanylpropanal is CCN[C@H](C=O)CS.
What is the InChIKey of (2R)-2-(ethylamino)-3-sulfanylpropanal?
The InChIKey is QJLMVZVCRAQFQQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NOS/c1-2-6-5(3-7)4-8/h3,5-6,8H,2,4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-2-(ethylamino)-3-sulfanylpropanal?
(2R)-2-(ethylamino)-3-sulfanylpropanal has a molecular weight of 133.22 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(ethylamino)-3-sulfanylpropanal is sourced from PubChem (CID 91407300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).