4-(thiazinan-2-yl)pyridine-3-carbaldehyde

C10H12N2OS — CID 88600721

IUPAC4-(thiazinan-2-yl)pyridine-3-carbaldehyde
SMILESO=Cc1cnccc1N1CCCCS1
InChIInChI=1S/C10H12N2OS/c13-8-9-7-11-4-3-10(9)12-5-1-2-6-14-12/h3-4,7-8H,1-2,5-6H2
InChIKeyGVJVBPNPSAVMRC-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.14
Rot. Bonds2

About 4-(thiazinan-2-yl)pyridine-3-carbaldehyde

4-(thiazinan-2-yl)pyridine-3-carbaldehyde (PubChem CID 88600721) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-(thiazinan-2-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(thiazinan-2-yl)pyridine-3-carbaldehyde
PubChem CID88600721
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name4-(thiazinan-2-yl)pyridine-3-carbaldehyde
SMILESO=Cc1cnccc1N1CCCCS1
InChIInChI=1S/C10H12N2OS/c13-8-9-7-11-4-3-10(9)12-5-1-2-6-14-12/h3-4,7-8H,1-2,5-6H2
InChIKeyGVJVBPNPSAVMRC-UHFFFAOYSA-N
XLogP2.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
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 4-(thiazinan-2-yl)pyridine-3-carbaldehyde?
The IUPAC name of 4-(thiazinan-2-yl)pyridine-3-carbaldehyde (CID 88600721) is 4-(thiazinan-2-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(thiazinan-2-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(thiazinan-2-yl)pyridine-3-carbaldehyde is O=Cc1cnccc1N1CCCCS1.
What is the InChIKey of 4-(thiazinan-2-yl)pyridine-3-carbaldehyde?
The InChIKey is GVJVBPNPSAVMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c13-8-9-7-11-4-3-10(9)12-5-1-2-6-14-12/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 4-(thiazinan-2-yl)pyridine-3-carbaldehyde?
4-(thiazinan-2-yl)pyridine-3-carbaldehyde has a molecular weight of 208.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiazinan-2-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 88600721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).