2-(methylamino)-2-methylsulfanylacetaldehyde

C4H9NOS — CID 19837866

IUPAC2-(methylamino)-2-methylsulfanylacetaldehyde
SMILESCNC(C=O)SC
InChIInChI=1S/C4H9NOS/c1-5-4(3-6)7-2/h3-5H,1-2H3
InChIKeyCEZHKNQRZJENDF-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.09
Rot. Bonds3

About 2-(methylamino)-2-methylsulfanylacetaldehyde

2-(methylamino)-2-methylsulfanylacetaldehyde (PubChem CID 19837866) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 2-(methylamino)-2-methylsulfanylacetaldehyde.

Molecular Properties

Compound Name2-(methylamino)-2-methylsulfanylacetaldehyde
PubChem CID19837866
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name2-(methylamino)-2-methylsulfanylacetaldehyde
SMILESCNC(C=O)SC
InChIInChI=1S/C4H9NOS/c1-5-4(3-6)7-2/h3-5H,1-2H3
InChIKeyCEZHKNQRZJENDF-UHFFFAOYSA-N
XLogP0.09
TPSA29.10 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 ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-methylsulfanylacetaldehyde?
The IUPAC name of 2-(methylamino)-2-methylsulfanylacetaldehyde (CID 19837866) is 2-(methylamino)-2-methylsulfanylacetaldehyde.
What is the SMILES notation for 2-(methylamino)-2-methylsulfanylacetaldehyde?
The canonical SMILES for 2-(methylamino)-2-methylsulfanylacetaldehyde is CNC(C=O)SC.
What is the InChIKey of 2-(methylamino)-2-methylsulfanylacetaldehyde?
The InChIKey is CEZHKNQRZJENDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-5-4(3-6)7-2/h3-5H,1-2H3.
What are the key properties of 2-(methylamino)-2-methylsulfanylacetaldehyde?
2-(methylamino)-2-methylsulfanylacetaldehyde has a molecular weight of 119.19 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-methylsulfanylacetaldehyde is sourced from PubChem (CID 19837866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).