4-(1,2,6-thiadiazinan-2-yl)benzaldehyde

C10H12N2OS — CID 144620943

IUPAC4-(1,2,6-thiadiazinan-2-yl)benzaldehyde
SMILESO=Cc1ccc(N2CCCNS2)cc1
InChIInChI=1S/C10H12N2OS/c13-8-9-2-4-10(5-3-9)12-7-1-6-11-14-12/h2-5,8,11H,1,6-7H2
InChIKeyUKUCWIZUOICDMR-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.86
Rot. Bonds2

About 4-(1,2,6-thiadiazinan-2-yl)benzaldehyde

4-(1,2,6-thiadiazinan-2-yl)benzaldehyde (PubChem CID 144620943) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-(1,2,6-thiadiazinan-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1,2,6-thiadiazinan-2-yl)benzaldehyde
PubChem CID144620943
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name4-(1,2,6-thiadiazinan-2-yl)benzaldehyde
SMILESO=Cc1ccc(N2CCCNS2)cc1
InChIInChI=1S/C10H12N2OS/c13-8-9-2-4-10(5-3-9)12-7-1-6-11-14-12/h2-5,8,11H,1,6-7H2
InChIKeyUKUCWIZUOICDMR-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
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-(1,2,6-thiadiazinan-2-yl)benzaldehyde?
The IUPAC name of 4-(1,2,6-thiadiazinan-2-yl)benzaldehyde (CID 144620943) is 4-(1,2,6-thiadiazinan-2-yl)benzaldehyde.
What is the SMILES notation for 4-(1,2,6-thiadiazinan-2-yl)benzaldehyde?
The canonical SMILES for 4-(1,2,6-thiadiazinan-2-yl)benzaldehyde is O=Cc1ccc(N2CCCNS2)cc1.
What is the InChIKey of 4-(1,2,6-thiadiazinan-2-yl)benzaldehyde?
The InChIKey is UKUCWIZUOICDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c13-8-9-2-4-10(5-3-9)12-7-1-6-11-14-12/h2-5,8,11H,1,6-7H2.
What are the key properties of 4-(1,2,6-thiadiazinan-2-yl)benzaldehyde?
4-(1,2,6-thiadiazinan-2-yl)benzaldehyde has a molecular weight of 208.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,6-thiadiazinan-2-yl)benzaldehyde is sourced from PubChem (CID 144620943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).