N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine

C7H14N2S — CID 174062405

IUPACN-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine
SMILESCC(C)N1CCCC1=NS
InChIInChI=1S/C7H14N2S/c1-6(2)9-5-3-4-7(9)8-10/h6,10H,3-5H2,1-2H3
InChIKeyUHJZFNKNUNXOLH-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.73
Rot. Bonds1

About N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine

N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine (PubChem CID 174062405) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine
PubChem CID174062405
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameN-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine
SMILESCC(C)N1CCCC1=NS
InChIInChI=1S/C7H14N2S/c1-6(2)9-5-3-4-7(9)8-10/h6,10H,3-5H2,1-2H3
InChIKeyUHJZFNKNUNXOLH-UHFFFAOYSA-N
XLogP1.73
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Propan-2-ylpyrrolidin-2-imine
CID 43121897
1-methyl-N-propan-2-ylpyrrolidin-2-imine
CID 57590577
N-methylsulfanyl-1-pyrrolidin-1-ylethanimine
CID 123991941
N,1-di(propan-2-yl)pyrrolidin-2-imine
CID 138726876
N-ethyl-1-propan-2-ylpyrrolidin-2-imine
CID 138727667
N-methyl-1-propan-2-ylpyrrolidin-2-imine
CID 148212498
N,1-di(propan-2-yl)pyrrolidin-2-imine;ethane
CID 161278602
1-ethyl-N-propan-2-ylpyrrolidin-2-imine
CID 169813358
N-butan-2-yl-1-methylpyrrolidin-2-imine
CID 170059176
N,1-dimethyl-1-propan-2-ylpyrrolidin-1-ium-2-imine
CID 170085709
1-butan-2-yl-N-methylpyrrolidin-2-imine
CID 170197530
N-(1-pyrrolidin-1-ylethylidene)thiohydroxylamine
CID 173297109

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine?
The IUPAC name of N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine (CID 174062405) is N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine.
What is the SMILES notation for N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine?
The canonical SMILES for N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine is CC(C)N1CCCC1=NS.
What is the InChIKey of N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine?
The InChIKey is UHJZFNKNUNXOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-6(2)9-5-3-4-7(9)8-10/h6,10H,3-5H2,1-2H3.
What are the key properties of N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine?
N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine has a molecular weight of 158.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrrolidin-2-ylidene)thiohydroxylamine is sourced from PubChem (CID 174062405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).