N-methyl-N-(oxan-4-yl)thiohydroxylamine

C6H13NOS — CID 123749336

IUPACN-methyl-N-(oxan-4-yl)thiohydroxylamine
SMILESCN(S)C1CCOCC1
InChIInChI=1S/C6H13NOS/c1-7(9)6-2-4-8-5-3-6/h6,9H,2-5H2,1H3
InChIKeyVOBRKHKMLBRGQD-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.94
Rot. Bonds1

About N-methyl-N-(oxan-4-yl)thiohydroxylamine

N-methyl-N-(oxan-4-yl)thiohydroxylamine (PubChem CID 123749336) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)thiohydroxylamine
PubChem CID123749336
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-methyl-N-(oxan-4-yl)thiohydroxylamine
SMILESCN(S)C1CCOCC1
InChIInChI=1S/C6H13NOS/c1-7(9)6-2-4-8-5-3-6/h6,9H,2-5H2,1H3
InChIKeyVOBRKHKMLBRGQD-UHFFFAOYSA-N
XLogP0.94
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)thiohydroxylamine?
The IUPAC name of N-methyl-N-(oxan-4-yl)thiohydroxylamine (CID 123749336) is N-methyl-N-(oxan-4-yl)thiohydroxylamine.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)thiohydroxylamine?
The canonical SMILES for N-methyl-N-(oxan-4-yl)thiohydroxylamine is CN(S)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)thiohydroxylamine?
The InChIKey is VOBRKHKMLBRGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-7(9)6-2-4-8-5-3-6/h6,9H,2-5H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)thiohydroxylamine?
N-methyl-N-(oxan-4-yl)thiohydroxylamine has a molecular weight of 147.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)thiohydroxylamine is sourced from PubChem (CID 123749336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).