N-methyl-N-pyrrolidin-3-ylthiohydroxylamine

C5H12N2S — CID 88966938

IUPACN-methyl-N-pyrrolidin-3-ylthiohydroxylamine
SMILESCN(S)C1CCNC1
InChIInChI=1S/C5H12N2S/c1-7(8)5-2-3-6-4-5/h5-6,8H,2-4H2,1H3
InChIKeyLTAFPVQGISAEIP-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.12
Rot. Bonds1

About N-methyl-N-pyrrolidin-3-ylthiohydroxylamine

N-methyl-N-pyrrolidin-3-ylthiohydroxylamine (PubChem CID 88966938) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-ylthiohydroxylamine.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-ylthiohydroxylamine
PubChem CID88966938
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC NameN-methyl-N-pyrrolidin-3-ylthiohydroxylamine
SMILESCN(S)C1CCNC1
InChIInChI=1S/C5H12N2S/c1-7(8)5-2-3-6-4-5/h5-6,8H,2-4H2,1H3
InChIKeyLTAFPVQGISAEIP-UHFFFAOYSA-N
XLogP0.12
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.12
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

3-Aminopyrrolidine
CID 164401
3-(Ethylamino)pyrrolidine
CID 14280900
(3S)-(-)-3-Aminopyrrolidine
CID 1519351
(3R)-pyrrolidin-3-amine
CID 1519352
3-Aminopyrrolidine dihydrochloride
CID 16212596
3-(Dimethylamino)pyrrolidine
CID 2758519
3-(Diethylamino)pyrrolidine
CID 19961995
1-Methylpyrrolidin-3-amine
CID 18940396
N,1-dimethylpyrrolidin-3-amine
CID 2758520
(3R)-(+)-3-(Dimethylamino)pyrrolidine
CID 2758521
(3S)-(-)-3-(Dimethylamino)pyrrolidine
CID 7019156
Methyl-((R)-1-methylpyrrolidin-3-yl)amine
CID 7154260

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-ylthiohydroxylamine?
The IUPAC name of N-methyl-N-pyrrolidin-3-ylthiohydroxylamine (CID 88966938) is N-methyl-N-pyrrolidin-3-ylthiohydroxylamine.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-ylthiohydroxylamine?
The canonical SMILES for N-methyl-N-pyrrolidin-3-ylthiohydroxylamine is CN(S)C1CCNC1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-ylthiohydroxylamine?
The InChIKey is LTAFPVQGISAEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-7(8)5-2-3-6-4-5/h5-6,8H,2-4H2,1H3.
What are the key properties of N-methyl-N-pyrrolidin-3-ylthiohydroxylamine?
N-methyl-N-pyrrolidin-3-ylthiohydroxylamine has a molecular weight of 132.23 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-ylthiohydroxylamine is sourced from PubChem (CID 88966938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).