S-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine

C7H16N2OS — CID 134449274

IUPACS-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine
SMILESCOCC1CCC(C)N1SN
InChIInChI=1S/C7H16N2OS/c1-6-3-4-7(5-10-2)9(6)11-8/h6-7H,3-5,8H2,1-2H3
InChIKeyLINWAZGHLKNKFK-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.01
Rot. Bonds3

About S-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine

S-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine (PubChem CID 134449274) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is S-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine
PubChem CID134449274
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC NameS-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine
SMILESCOCC1CCC(C)N1SN
InChIInChI=1S/C7H16N2OS/c1-6-3-4-7(5-10-2)9(6)11-8/h6-7H,3-5,8H2,1-2H3
InChIKeyLINWAZGHLKNKFK-UHFFFAOYSA-N
XLogP1.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine?
The IUPAC name of S-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine (CID 134449274) is S-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine.
What is the SMILES notation for S-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine?
The canonical SMILES for S-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine is COCC1CCC(C)N1SN.
What is the InChIKey of S-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine?
The InChIKey is LINWAZGHLKNKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-6-3-4-7(5-10-2)9(6)11-8/h6-7H,3-5,8H2,1-2H3.
What are the key properties of S-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine?
S-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine has a molecular weight of 176.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]thiohydroxylamine is sourced from PubChem (CID 134449274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).