N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine

C6H12N2S — CID 173297109

IUPACN-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine
SMILESCC(=NS)N1CCCC1
InChIInChI=1S/C6H12N2S/c1-6(7-9)8-4-2-3-5-8/h9H,2-5H2,1H3
InChIKeyXNOYCUNUSCDDMZ-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.35
Rot. Bonds

About N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine

N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine (PubChem CID 173297109) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine.

Molecular Properties

Compound NameN-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine
PubChem CID173297109
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC NameN-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine
SMILESCC(=NS)N1CCCC1
InChIInChI=1S/C6H12N2S/c1-6(7-9)8-4-2-3-5-8/h9H,2-5H2,1H3
InChIKeyXNOYCUNUSCDDMZ-UHFFFAOYSA-N
XLogP1.35
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Methanamine, N-(1-methyl-2-pyrrolidinylidene)-
CID 574377
1-Pyrrolidin-1-ylethanimine
CID 10855418
N-ethyl-1-methylpyrrolidin-2-imine
CID 12896054
2-Diazonioimino-1-methylpyrrolidine
CID 123352329
(2Z)-1-methyl-2-sulfamoyliminopyrrolidine
CID 134988378
N-methyl-1-pyrrolidin-1-ylethanimine
CID 18728217
N-(1-methylpyrrolidin-2-ylidene)sulfamoyl chloride
CID 72727035
Dimethyl-(1-methylpyrrolidin-2-ylidene)azanium
CID 85690367
1-ethyl-N-methylpyrrolidin-2-imine
CID 89517110
N-methylsulfanyl-1-pyrrolidin-1-ylethanimine
CID 123991941
1-Pyrrolidin-1-ylethylidenecyanamide
CID 142185225
(Z)-1-methyl-N-(methylideneamino)pyrrolidin-2-imine
CID 144272314

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine?
The IUPAC name of N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine (CID 173297109) is N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine.
What is the SMILES notation for N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine?
The canonical SMILES for N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine is CC(=NS)N1CCCC1.
What is the InChIKey of N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine?
The InChIKey is XNOYCUNUSCDDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-6(7-9)8-4-2-3-5-8/h9H,2-5H2,1H3.
What are the key properties of N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine?
N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine has a molecular weight of 144.24 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine is sourced from PubChem (CID 173297109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).