S-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine

C7H12N2S — CID 88953928

IUPACS-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine
SMILESC=CC1=C(SN)CNCC1
InChIInChI=1S/C7H12N2S/c1-2-6-3-4-9-5-7(6)10-8/h2,9H,1,3-5,8H2
InChIKeyLUDYCBWXTWAZDU-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.03
Rot. Bonds2

About S-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine

S-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine (PubChem CID 88953928) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is S-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine
PubChem CID88953928
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameS-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine
SMILESC=CC1=C(SN)CNCC1
InChIInChI=1S/C7H12N2S/c1-2-6-3-4-9-5-7(6)10-8/h2,9H,1,3-5,8H2
InChIKeyLUDYCBWXTWAZDU-UHFFFAOYSA-N
XLogP1.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine?
The IUPAC name of S-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine (CID 88953928) is S-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine.
What is the SMILES notation for S-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine?
The canonical SMILES for S-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine is C=CC1=C(SN)CNCC1.
What is the InChIKey of S-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine?
The InChIKey is LUDYCBWXTWAZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-2-6-3-4-9-5-7(6)10-8/h2,9H,1,3-5,8H2.
What are the key properties of S-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine?
S-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine has a molecular weight of 156.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)thiohydroxylamine is sourced from PubChem (CID 88953928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).