1-methylsulfanyl-1-methylsulfinylpropan-2-imine

C5H11NOS2 — CID 54502193

IUPAC1-methylsulfanyl-1-methylsulfinylpropan-2-imine
SMILES[H]/N=C(\C)C(SC)S(C)=O
InChIInChI=1S/C5H11NOS2/c1-4(6)5(8-2)9(3)7/h5-6H,1-3H3/b6-4+
InChIKeyYDFAMZVZEQRGHQ-GQCTYLIASA-N
MW165.28 g/mol
LogP1.09
Rot. Bonds3

About 1-methylsulfanyl-1-methylsulfinylpropan-2-imine

1-methylsulfanyl-1-methylsulfinylpropan-2-imine (PubChem CID 54502193) has the molecular formula C5H11NOS2 and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-methylsulfanyl-1-methylsulfinylpropan-2-imine.

Molecular Properties

Compound Name1-methylsulfanyl-1-methylsulfinylpropan-2-imine
PubChem CID54502193
Molecular FormulaC5H11NOS2
Molecular Weight165.28 g/mol
Exact Mass165.03
IUPAC Name1-methylsulfanyl-1-methylsulfinylpropan-2-imine
SMILES[H]/N=C(\C)C(SC)S(C)=O
InChIInChI=1S/C5H11NOS2/c1-4(6)5(8-2)9(3)7/h5-6H,1-3H3/b6-4+
InChIKeyYDFAMZVZEQRGHQ-GQCTYLIASA-N
XLogP1.09
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-1-methylsulfinylpropan-2-imine?
The IUPAC name of 1-methylsulfanyl-1-methylsulfinylpropan-2-imine (CID 54502193) is 1-methylsulfanyl-1-methylsulfinylpropan-2-imine.
What is the SMILES notation for 1-methylsulfanyl-1-methylsulfinylpropan-2-imine?
The canonical SMILES for 1-methylsulfanyl-1-methylsulfinylpropan-2-imine is [H]/N=C(\C)C(SC)S(C)=O.
What is the InChIKey of 1-methylsulfanyl-1-methylsulfinylpropan-2-imine?
The InChIKey is YDFAMZVZEQRGHQ-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NOS2/c1-4(6)5(8-2)9(3)7/h5-6H,1-3H3/b6-4+.
What are the key properties of 1-methylsulfanyl-1-methylsulfinylpropan-2-imine?
1-methylsulfanyl-1-methylsulfinylpropan-2-imine has a molecular weight of 165.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-1-methylsulfinylpropan-2-imine is sourced from PubChem (CID 54502193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).