2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde

C6H8N2OS — CID 163378946

IUPAC2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde
SMILESNSC1C=C(C=O)C=CN1
InChIInChI=1S/C6H8N2OS/c7-10-6-3-5(4-9)1-2-8-6/h1-4,6,8H,7H2
InChIKeyYGFYPBLVEVBEPK-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.16
Rot. Bonds2

About 2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde

2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde (PubChem CID 163378946) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde
PubChem CID163378946
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde
SMILESNSC1C=C(C=O)C=CN1
InChIInChI=1S/C6H8N2OS/c7-10-6-3-5(4-9)1-2-8-6/h1-4,6,8H,7H2
InChIKeyYGFYPBLVEVBEPK-UHFFFAOYSA-N
XLogP0.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde?
The IUPAC name of 2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde (CID 163378946) is 2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde.
What is the SMILES notation for 2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde?
The canonical SMILES for 2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde is NSC1C=C(C=O)C=CN1.
What is the InChIKey of 2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde?
The InChIKey is YGFYPBLVEVBEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c7-10-6-3-5(4-9)1-2-8-6/h1-4,6,8H,7H2.
What are the key properties of 2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde?
2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde has a molecular weight of 156.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminosulfanyl-1,2-dihydropyridine-4-carbaldehyde is sourced from PubChem (CID 163378946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).