2,6-diethyl-1,2,6-thiadiazinane

C7H16N2S — CID 24977465

IUPAC2,6-diethyl-1,2,6-thiadiazinane
SMILESCCN1CCCN(CC)S1
InChIInChI=1S/C7H16N2S/c1-3-8-6-5-7-9(4-2)10-8/h3-7H2,1-2H3
InChIKeyJUTRMCHQYGZGKX-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.60
Rot. Bonds2

About 2,6-diethyl-1,2,6-thiadiazinane

2,6-diethyl-1,2,6-thiadiazinane (PubChem CID 24977465) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 2,6-diethyl-1,2,6-thiadiazinane.

Molecular Properties

Compound Name2,6-diethyl-1,2,6-thiadiazinane
PubChem CID24977465
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name2,6-diethyl-1,2,6-thiadiazinane
SMILESCCN1CCCN(CC)S1
InChIInChI=1S/C7H16N2S/c1-3-8-6-5-7-9(4-2)10-8/h3-7H2,1-2H3
InChIKeyJUTRMCHQYGZGKX-UHFFFAOYSA-N
XLogP1.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
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 2,6-diethyl-1,2,6-thiadiazinane?
The IUPAC name of 2,6-diethyl-1,2,6-thiadiazinane (CID 24977465) is 2,6-diethyl-1,2,6-thiadiazinane.
What is the SMILES notation for 2,6-diethyl-1,2,6-thiadiazinane?
The canonical SMILES for 2,6-diethyl-1,2,6-thiadiazinane is CCN1CCCN(CC)S1.
What is the InChIKey of 2,6-diethyl-1,2,6-thiadiazinane?
The InChIKey is JUTRMCHQYGZGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-3-8-6-5-7-9(4-2)10-8/h3-7H2,1-2H3.
What are the key properties of 2,6-diethyl-1,2,6-thiadiazinane?
2,6-diethyl-1,2,6-thiadiazinane has a molecular weight of 160.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-1,2,6-thiadiazinane is sourced from PubChem (CID 24977465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).