S-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine

C6H14N2OS — CID 166854812

IUPACS-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine
SMILESCOC1CN(C)CC1SN
InChIInChI=1S/C6H14N2OS/c1-8-3-5(9-2)6(4-8)10-7/h5-6H,3-4,7H2,1-2H3
InChIKeyXEIATXLCAKYIJY-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.08
Rot. Bonds2

About S-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine

S-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine (PubChem CID 166854812) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is S-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine
PubChem CID166854812
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC NameS-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine
SMILESCOC1CN(C)CC1SN
InChIInChI=1S/C6H14N2OS/c1-8-3-5(9-2)6(4-8)10-7/h5-6H,3-4,7H2,1-2H3
InChIKeyXEIATXLCAKYIJY-UHFFFAOYSA-N
XLogP-0.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.08
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-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine?
The IUPAC name of S-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine (CID 166854812) is S-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine.
What is the SMILES notation for S-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine?
The canonical SMILES for S-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine is COC1CN(C)CC1SN.
What is the InChIKey of S-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine?
The InChIKey is XEIATXLCAKYIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-8-3-5(9-2)6(4-8)10-7/h5-6H,3-4,7H2,1-2H3.
What are the key properties of S-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine?
S-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine has a molecular weight of 162.26 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-methoxy-1-methylpyrrolidin-3-yl)thiohydroxylamine is sourced from PubChem (CID 166854812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).