N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine

C8H14N2S — CID 123958575

IUPACN-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine
SMILESSNCC/N=C1/C=CCCC1
InChIInChI=1S/C8H14N2S/c11-10-7-6-9-8-4-2-1-3-5-8/h2,4,10-11H,1,3,5-7H2/b9-8-
InChIKeyWUDWTUPNSDHXNT-HJWRWDBZSA-N
MW170.28 g/mol
LogP1.60
Rot. Bonds3

About N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine

N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine (PubChem CID 123958575) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine
PubChem CID123958575
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine
SMILESSNCC/N=C1/C=CCCC1
InChIInChI=1S/C8H14N2S/c11-10-7-6-9-8-4-2-1-3-5-8/h2,4,10-11H,1,3,5-7H2/b9-8-
InChIKeyWUDWTUPNSDHXNT-HJWRWDBZSA-N
XLogP1.60
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-Fluorocyclohex-2-en-1-ylidene)amino]ethanamine
CID 123344748
N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine
CID 89074005
2-(cyclohex-2-en-1-ylideneamino)-N-methylsulfanylethanamine
CID 123267878
2-(cyclohex-2-en-1-ylideneamino)-N-methylethanamine
CID 123408588
2-(Cyclohex-2-en-1-ylideneamino)ethanamine
CID 123456351
2-N-ethylcyclohex-3-ene-1,2-diimine
CID 123566482
1-(2,3-Dihydropyridin-6-yl)propan-2-amine
CID 123723453
2-(cyclohex-2-en-1-ylideneamino)-N-propylsulfanylethanamine
CID 123955694
2-N-propylcyclohex-3-ene-1,2-diimine
CID 143739126

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine?
The IUPAC name of N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine (CID 123958575) is N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine.
What is the SMILES notation for N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine?
The canonical SMILES for N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine is SNCC/N=C1/C=CCCC1.
What is the InChIKey of N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine?
The InChIKey is WUDWTUPNSDHXNT-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H14N2S/c11-10-7-6-9-8-4-2-1-3-5-8/h2,4,10-11H,1,3,5-7H2/b9-8-.
What are the key properties of N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine?
N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine has a molecular weight of 170.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine is sourced from PubChem (CID 123958575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).