ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane

C11H19N3S — CID 142224390

IUPACethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane
SMILESCC.Cc1ccc(N2CCCNS2)cn1
InChIInChI=1S/C9H13N3S.C2H6/c1-8-3-4-9(7-10-8)12-6-2-5-11-13-12;1-2/h3-4,7,11H,2,5-6H2,1H3;1-2H3
InChIKeyOKXUJSRWBHVBAR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.78
Rot. Bonds1

About ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane

ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane (PubChem CID 142224390) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane.

Molecular Properties

Compound Nameethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane
PubChem CID142224390
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Nameethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane
SMILESCC.Cc1ccc(N2CCCNS2)cn1
InChIInChI=1S/C9H13N3S.C2H6/c1-8-3-4-9(7-10-8)12-6-2-5-11-13-12;1-2/h3-4,7,11H,2,5-6H2,1H3;1-2H3
InChIKeyOKXUJSRWBHVBAR-UHFFFAOYSA-N
XLogP2.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane?
The IUPAC name of ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane (CID 142224390) is ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane.
What is the SMILES notation for ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane?
The canonical SMILES for ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane is CC.Cc1ccc(N2CCCNS2)cn1.
What is the InChIKey of ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane?
The InChIKey is OKXUJSRWBHVBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S.C2H6/c1-8-3-4-9(7-10-8)12-6-2-5-11-13-12;1-2/h3-4,7,11H,2,5-6H2,1H3;1-2H3.
What are the key properties of ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane?
ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane has a molecular weight of 225.36 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane is sourced from PubChem (CID 142224390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).