5-hexyl-1,3,5-dithiazinane

C9H19NS2 — CID 86228279

IUPAC5-hexyl-1,3,5-dithiazinane
SMILESCCCCCCN1CSCSC1
InChIInChI=1S/C9H19NS2/c1-2-3-4-5-6-10-7-11-9-12-8-10/h2-9H2,1H3
InChIKeyJHRWJIXDEQMVKX-UHFFFAOYSA-N
MW205.39 g/mol
LogP3.22
Rot. Bonds5

About 5-hexyl-1,3,5-dithiazinane

5-hexyl-1,3,5-dithiazinane (PubChem CID 86228279) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is 5-hexyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name5-hexyl-1,3,5-dithiazinane
PubChem CID86228279
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name5-hexyl-1,3,5-dithiazinane
SMILESCCCCCCN1CSCSC1
InChIInChI=1S/C9H19NS2/c1-2-3-4-5-6-10-7-11-9-12-8-10/h2-9H2,1H3
InChIKeyJHRWJIXDEQMVKX-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Cyclohexyl-1,3,5-dithiazinane
CID 264804
5-Butyl-1,3,5-dithiazinane
CID 15253873
5-Pentyl-1,3,5-dithiazinane
CID 88499423
Trimethyl(piperidin-1-ylmethyl)-lambda4-sulfane
CID 139527505
1-Methylpiperidine;methylsulfanylmethane
CID 141972378
Methyl-(piperidin-1-ylmethyl)-sulfanylidene-lambda4-sulfane
CID 164000764
N-methyl-N-(methylsulfanylmethyl)hexan-1-amine
CID 167041563
2-Methyl-1-(methylsulfanylmethyl)piperidine
CID 167191719
N-methyl-N-(methylsulfinothioylmethyl)hexan-1-amine
CID 170064418

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-1,3,5-dithiazinane?
The IUPAC name of 5-hexyl-1,3,5-dithiazinane (CID 86228279) is 5-hexyl-1,3,5-dithiazinane.
What is the SMILES notation for 5-hexyl-1,3,5-dithiazinane?
The canonical SMILES for 5-hexyl-1,3,5-dithiazinane is CCCCCCN1CSCSC1.
What is the InChIKey of 5-hexyl-1,3,5-dithiazinane?
The InChIKey is JHRWJIXDEQMVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c1-2-3-4-5-6-10-7-11-9-12-8-10/h2-9H2,1H3.
What are the key properties of 5-hexyl-1,3,5-dithiazinane?
5-hexyl-1,3,5-dithiazinane has a molecular weight of 205.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-1,3,5-dithiazinane is sourced from PubChem (CID 86228279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).