N-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine

C6H15NO2S — CID 90915763

IUPACN-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine
SMILESCNS(=O)(O)=CC(C)(C)C
InChIInChI=1S/C6H15NO2S/c1-6(2,3)5-10(8,9)7-4/h5H,1-4H3,(H2,7,8,9)
InChIKeyPFUAXVMCLYFDIC-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.73
Rot. Bonds1

About N-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine

N-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine (PubChem CID 90915763) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine.

Molecular Properties

Compound NameN-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine
PubChem CID90915763
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine
SMILESCNS(=O)(O)=CC(C)(C)C
InChIInChI=1S/C6H15NO2S/c1-6(2,3)5-10(8,9)7-4/h5H,1-4H3,(H2,7,8,9)
InChIKeyPFUAXVMCLYFDIC-UHFFFAOYSA-N
XLogP0.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.73
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 N-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine?
The IUPAC name of N-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine (CID 90915763) is N-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine.
What is the SMILES notation for N-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine?
The canonical SMILES for N-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine is CNS(=O)(O)=CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine?
The InChIKey is PFUAXVMCLYFDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-6(2,3)5-10(8,9)7-4/h5H,1-4H3,(H2,7,8,9).
What are the key properties of N-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine?
N-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine has a molecular weight of 165.26 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropylidene-hydroxy-oxo-λ6-sulfanyl)methanamine is sourced from PubChem (CID 90915763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).