(2R)-2-amino-3-methylsulfanylpropanal

C4H9NOS — CID 56634175

IUPAC(2R)-2-amino-3-methylsulfanylpropanal
SMILESCSC[C@H](N)C=O
InChIInChI=1S/C4H9NOS/c1-7-3-4(5)2-6/h2,4H,3,5H2,1H3/t4-/m1/s1
InChIKeyZJUQBZZQFUPLCM-SCSAIBSYSA-N
MW119.19 g/mol
LogP-0.12
Rot. Bonds3

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

(2R)-2-amino-3-methylsulfanylpropanal (PubChem CID 56634175) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is (2R)-2-amino-3-methylsulfanylpropanal.

Molecular Properties

Compound Name(2R)-2-amino-3-methylsulfanylpropanal
PubChem CID56634175
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name(2R)-2-amino-3-methylsulfanylpropanal
SMILESCSC[C@H](N)C=O
InChIInChI=1S/C4H9NOS/c1-7-3-4(5)2-6/h2,4H,3,5H2,1H3/t4-/m1/s1
InChIKeyZJUQBZZQFUPLCM-SCSAIBSYSA-N
XLogP-0.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-methylsulfanylpropanal with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-amino-3-(tert-butyldisulfanyl)propanal
CID 24802017
(2R)-2-amino-3-(2-aminoethylsulfanyl)propanal
CID 18645547
2-amino-3-(heptyldisulfanyl)propanal
CID 134486015
2-amino-3-[(4-methyl-3-oxopentyl)disulfanyl]propanal
CID 137414893
2-amino-3-(7-methyloctyldisulfanyl)propanal
CID 134486017
(2S)-2-amino-3-methoxypropanal
CID 18395600
(2R)-2-amino-4,4-dimethylpentanal
CID 90948375
2-amino-4-ethylsulfanylbutanal
CID 167138270
2,4,4-triaminopentanal
CID 168758878
2-aminobutanal;ethoxyethane
CID 174799837
(2S)-2-aminopentanal;ethane;molecular hydrogen
CID 177242224
(2S)-2-amino-4-(dimethylamino)butanal
CID 88906028

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methylsulfanylpropanal?
The IUPAC name of (2R)-2-amino-3-methylsulfanylpropanal (CID 56634175) is (2R)-2-amino-3-methylsulfanylpropanal.
What is the SMILES notation for (2R)-2-amino-3-methylsulfanylpropanal?
The canonical SMILES for (2R)-2-amino-3-methylsulfanylpropanal is CSC[C@H](N)C=O.
What is the InChIKey of (2R)-2-amino-3-methylsulfanylpropanal?
The InChIKey is ZJUQBZZQFUPLCM-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-7-3-4(5)2-6/h2,4H,3,5H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-2-amino-3-methylsulfanylpropanal?
(2R)-2-amino-3-methylsulfanylpropanal has a molecular weight of 119.19 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methylsulfanylpropanal is sourced from PubChem (CID 56634175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).