4,6-dimethyl-2-propyl-1,3,5-dithiazinane

C8H17NS2 — CID 71333279

IUPAC4,6-dimethyl-2-propyl-1,3,5-dithiazinane
SMILESCCCC1SC(C)NC(C)S1
InChIInChI=1S/C8H17NS2/c1-4-5-8-10-6(2)9-7(3)11-8/h6-9H,4-5H2,1-3H3
InChIKeyBLPPMRPCYSNRGW-UHFFFAOYSA-N
MW191.36 g/mol
LogP2.87
Rot. Bonds2

About 4,6-dimethyl-2-propyl-1,3,5-dithiazinane

4,6-dimethyl-2-propyl-1,3,5-dithiazinane (PubChem CID 71333279) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is 4,6-dimethyl-2-propyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name4,6-dimethyl-2-propyl-1,3,5-dithiazinane
PubChem CID71333279
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC Name4,6-dimethyl-2-propyl-1,3,5-dithiazinane
SMILESCCCC1SC(C)NC(C)S1
InChIInChI=1S/C8H17NS2/c1-4-5-8-10-6(2)9-7(3)11-8/h6-9H,4-5H2,1-3H3
InChIKeyBLPPMRPCYSNRGW-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 52.87
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-propyl-1,3,5-dithiazinane?
The IUPAC name of 4,6-dimethyl-2-propyl-1,3,5-dithiazinane (CID 71333279) is 4,6-dimethyl-2-propyl-1,3,5-dithiazinane.
What is the SMILES notation for 4,6-dimethyl-2-propyl-1,3,5-dithiazinane?
The canonical SMILES for 4,6-dimethyl-2-propyl-1,3,5-dithiazinane is CCCC1SC(C)NC(C)S1.
What is the InChIKey of 4,6-dimethyl-2-propyl-1,3,5-dithiazinane?
The InChIKey is BLPPMRPCYSNRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-4-5-8-10-6(2)9-7(3)11-8/h6-9H,4-5H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-propyl-1,3,5-dithiazinane?
4,6-dimethyl-2-propyl-1,3,5-dithiazinane has a molecular weight of 191.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-propyl-1,3,5-dithiazinane is sourced from PubChem (CID 71333279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).