1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane

C4H11NO2S — CID 56607732

IUPAC1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane
SMILESCC(C)C=S(N)(=O)O
InChIInChI=1S/C4H11NO2S/c1-4(2)3-8(5,6)7/h3-4H,1-2H3,(H3,5,6,7)
InChIKeyIHVNXJUGSDEWPU-UHFFFAOYSA-N
MW137.20 g/mol
LogP0.08
Rot. Bonds1

About 1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane

1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane (PubChem CID 56607732) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is 1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane.

Molecular Properties

Compound Name1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane
PubChem CID56607732
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC Name1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane
SMILESCC(C)C=S(N)(=O)O
InChIInChI=1S/C4H11NO2S/c1-4(2)3-8(5,6)7/h3-4H,1-2H3,(H3,5,6,7)
InChIKeyIHVNXJUGSDEWPU-UHFFFAOYSA-N
XLogP0.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane?
The IUPAC name of 1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane (CID 56607732) is 1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane.
What is the SMILES notation for 1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane?
The canonical SMILES for 1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane is CC(C)C=S(N)(=O)O.
What is the InChIKey of 1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane?
The InChIKey is IHVNXJUGSDEWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-4(2)3-8(5,6)7/h3-4H,1-2H3,(H3,5,6,7).
What are the key properties of 1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane?
1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane has a molecular weight of 137.20 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(amino-hydroxy-oxo-λ6-sulfanylidene)-2-methylpropane is sourced from PubChem (CID 56607732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).