4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane

C8H17NS2 — CID 529055

IUPAC4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane
SMILESCC1NC(C)SC(C(C)C)S1
InChIInChI=1S/C8H17NS2/c1-5(2)8-10-6(3)9-7(4)11-8/h5-9H,1-4H3
InChIKeyZNOHVVXGIQIPAU-UHFFFAOYSA-N
MW191.36 g/mol
LogP2.73
Rot. Bonds1

About 4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane

4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane (PubChem CID 529055) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is 4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane.

Molecular Properties

Compound Name4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane
PubChem CID529055
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC Name4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane
SMILESCC1NC(C)SC(C(C)C)S1
InChIInChI=1S/C8H17NS2/c1-5(2)8-10-6(3)9-7(4)11-8/h5-9H,1-4H3
InChIKeyZNOHVVXGIQIPAU-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane?
The IUPAC name of 4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane (CID 529055) is 4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane.
What is the SMILES notation for 4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane?
The canonical SMILES for 4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane is CC1NC(C)SC(C(C)C)S1.
What is the InChIKey of 4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane?
The InChIKey is ZNOHVVXGIQIPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-5(2)8-10-6(3)9-7(4)11-8/h5-9H,1-4H3.
What are the key properties of 4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane?
4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane has a molecular weight of 191.36 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane is sourced from PubChem (CID 529055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).