S-(pyrrolidin-1-ylmethyl)thiohydroxylamine

C5H12N2S — CID 23354513

IUPACS-(pyrrolidin-1-ylmethyl)thiohydroxylamine
SMILESNSCN1CCCC1
InChIInChI=1S/C5H12N2S/c6-8-5-7-3-1-2-4-7/h1-6H2
InChIKeyXWMCEJDLUIPSGS-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.65
Rot. Bonds2

About S-(pyrrolidin-1-ylmethyl)thiohydroxylamine

S-(pyrrolidin-1-ylmethyl)thiohydroxylamine (PubChem CID 23354513) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is S-(pyrrolidin-1-ylmethyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(pyrrolidin-1-ylmethyl)thiohydroxylamine
PubChem CID23354513
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC NameS-(pyrrolidin-1-ylmethyl)thiohydroxylamine
SMILESNSCN1CCCC1
InChIInChI=1S/C5H12N2S/c6-8-5-7-3-1-2-4-7/h1-6H2
InChIKeyXWMCEJDLUIPSGS-UHFFFAOYSA-N
XLogP0.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(tert-butylsulfanylmethyl)pyrrolidine
CID 118259816
piperidin-1-ylmethylsulfanylphosphonic acid
CID 167617396
N-(pyrrolidin-1-ylmethylsulfanyl)ethanamine
CID 142009580
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
pyrrolidin-1-ylmethanol;hydrochloride
CID 68973638
1-[(2,3,4,5,6-pentachlorophenyl)sulfanylmethyl]piperidine
CID 154112453
2-(azepan-1-yl)ethanethioamide
CID 24695498
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
ethane;piperidin-1-ylmethanamine
CID 166079141
1,6-diethyl-1,6-diazecane
CID 172611513
1-(bromomethyl)pyrrolidine
CID 19386827
oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine
CID 88639332

Frequently Asked Questions

What is the IUPAC name of S-(pyrrolidin-1-ylmethyl)thiohydroxylamine?
The IUPAC name of S-(pyrrolidin-1-ylmethyl)thiohydroxylamine (CID 23354513) is S-(pyrrolidin-1-ylmethyl)thiohydroxylamine.
What is the SMILES notation for S-(pyrrolidin-1-ylmethyl)thiohydroxylamine?
The canonical SMILES for S-(pyrrolidin-1-ylmethyl)thiohydroxylamine is NSCN1CCCC1.
What is the InChIKey of S-(pyrrolidin-1-ylmethyl)thiohydroxylamine?
The InChIKey is XWMCEJDLUIPSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c6-8-5-7-3-1-2-4-7/h1-6H2.
What are the key properties of S-(pyrrolidin-1-ylmethyl)thiohydroxylamine?
S-(pyrrolidin-1-ylmethyl)thiohydroxylamine has a molecular weight of 132.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(pyrrolidin-1-ylmethyl)thiohydroxylamine is sourced from PubChem (CID 23354513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).