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

C10H21NS2 — CID 528750

IUPAC4,6-dimethyl-2-pentyl-1,3,5-dithiazinane
SMILESCCCCCC1SC(C)NC(C)S1
InChIInChI=1S/C10H21NS2/c1-4-5-6-7-10-12-8(2)11-9(3)13-10/h8-11H,4-7H2,1-3H3
InChIKeyMOQYJFGRWHTLRP-UHFFFAOYSA-N
MW219.42 g/mol
LogP3.65
Rot. Bonds4

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

4,6-dimethyl-2-pentyl-1,3,5-dithiazinane (PubChem CID 528750) has the molecular formula C10H21NS2 and a molecular weight of 219.42 g/mol. Its IUPAC name is 4,6-dimethyl-2-pentyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name4,6-dimethyl-2-pentyl-1,3,5-dithiazinane
PubChem CID528750
Molecular FormulaC10H21NS2
Molecular Weight219.42 g/mol
Exact Mass219.11
IUPAC Name4,6-dimethyl-2-pentyl-1,3,5-dithiazinane
SMILESCCCCCC1SC(C)NC(C)S1
InChIInChI=1S/C10H21NS2/c1-4-5-6-7-10-12-8(2)11-9(3)13-10/h8-11H,4-7H2,1-3H3
InChIKeyMOQYJFGRWHTLRP-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-pentyl-1,3,5-dithiazinane?
The IUPAC name of 4,6-dimethyl-2-pentyl-1,3,5-dithiazinane (CID 528750) is 4,6-dimethyl-2-pentyl-1,3,5-dithiazinane.
What is the SMILES notation for 4,6-dimethyl-2-pentyl-1,3,5-dithiazinane?
The canonical SMILES for 4,6-dimethyl-2-pentyl-1,3,5-dithiazinane is CCCCCC1SC(C)NC(C)S1.
What is the InChIKey of 4,6-dimethyl-2-pentyl-1,3,5-dithiazinane?
The InChIKey is MOQYJFGRWHTLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2/c1-4-5-6-7-10-12-8(2)11-9(3)13-10/h8-11H,4-7H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-pentyl-1,3,5-dithiazinane?
4,6-dimethyl-2-pentyl-1,3,5-dithiazinane has a molecular weight of 219.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-pentyl-1,3,5-dithiazinane is sourced from PubChem (CID 528750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).