N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine

C6H14N2S — CID 138576370

IUPACN-(2-pyrrolidin-1-ylethyl)thiohydroxylamine
SMILESSNCCN1CCCC1
InChIInChI=1S/C6H14N2S/c9-7-3-6-8-4-1-2-5-8/h7,9H,1-6H2
InChIKeySAYBGNZAXUYYSZ-UHFFFAOYSA-N
MW146.26 g/mol
LogP0.52
Rot. Bonds3

About N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine

N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine (PubChem CID 138576370) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)thiohydroxylamine
PubChem CID138576370
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC NameN-(2-pyrrolidin-1-ylethyl)thiohydroxylamine
SMILESSNCCN1CCCC1
InChIInChI=1S/C6H14N2S/c9-7-3-6-8-4-1-2-5-8/h7,9H,1-6H2
InChIKeySAYBGNZAXUYYSZ-UHFFFAOYSA-N
XLogP0.52
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Pyrrolidineethanamine
CID 1344
Methyl(2-(pyrrolidin-1-yl)ethyl)amine
CID 295976
2-(1-Pyrrolidinyl)ethanamine Dihydrochloride
CID 45792189
1,2-Ethanediamine, N1-[2-(1-pyrrolidinyl)ethyl]-
CID 80405
2-(3-Fluoropyrrolidin-1-yl)ethan-1-amine
CID 18179948
2-(3,4-Difluoropyrrolidin-1-yl)ethanamine
CID 53435652
(S)-2-(3-Fluoropyrrolidin-1-YL)ethanamine
CID 67408508
(R)-2-(3-Fluoro-1-pyrrolidinyl)ethanamine
CID 67411521
3-Fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine
CID 68850143
N-fluoro-2-pyrrolidin-1-ylethanamine
CID 142858488
2-(3,3-difluoropyrrolidin-1-yl)-N-(disulfanyl)ethanamine
CID 166752899
2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanamine
CID 55265093

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine (CID 138576370) is N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine is SNCCN1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine?
The InChIKey is SAYBGNZAXUYYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c9-7-3-6-8-4-1-2-5-8/h7,9H,1-6H2.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine?
N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine has a molecular weight of 146.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)thiohydroxylamine is sourced from PubChem (CID 138576370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).