N-pyrrolidin-3-ylthiohydroxylamine

C4H10N2S — CID 88967029

IUPACN-pyrrolidin-3-ylthiohydroxylamine
SMILESSNC1CCNC1
InChIInChI=1S/C4H10N2S/c7-6-4-1-2-5-3-4/h4-7H,1-3H2
InChIKeyXERUUDFUVWAUMF-UHFFFAOYSA-N
MW118.20 g/mol
LogP-0.22
Rot. Bonds1

About N-pyrrolidin-3-ylthiohydroxylamine

N-pyrrolidin-3-ylthiohydroxylamine (PubChem CID 88967029) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is N-pyrrolidin-3-ylthiohydroxylamine.

Molecular Properties

Compound NameN-pyrrolidin-3-ylthiohydroxylamine
PubChem CID88967029
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC NameN-pyrrolidin-3-ylthiohydroxylamine
SMILESSNC1CCNC1
InChIInChI=1S/C4H10N2S/c7-6-4-1-2-5-3-4/h4-7H,1-3H2
InChIKeyXERUUDFUVWAUMF-UHFFFAOYSA-N
XLogP-0.22
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-(+)-2-(Aminomethyl)pyrrolidine
CID 2734054
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
1-Methylpyrrolidin-3-amine
CID 18940396
2-Pyrrolidinemethanamine
CID 72032
N,1-dimethylpyrrolidin-3-amine
CID 2758520
(3R)-(+)-3-(Dimethylamino)pyrrolidine
CID 2758521
(3S)-(-)-3-(Dimethylamino)pyrrolidine
CID 7019156

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylthiohydroxylamine?
The IUPAC name of N-pyrrolidin-3-ylthiohydroxylamine (CID 88967029) is N-pyrrolidin-3-ylthiohydroxylamine.
What is the SMILES notation for N-pyrrolidin-3-ylthiohydroxylamine?
The canonical SMILES for N-pyrrolidin-3-ylthiohydroxylamine is SNC1CCNC1.
What is the InChIKey of N-pyrrolidin-3-ylthiohydroxylamine?
The InChIKey is XERUUDFUVWAUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c7-6-4-1-2-5-3-4/h4-7H,1-3H2.
What are the key properties of N-pyrrolidin-3-ylthiohydroxylamine?
N-pyrrolidin-3-ylthiohydroxylamine has a molecular weight of 118.20 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylthiohydroxylamine is sourced from PubChem (CID 88967029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).