4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane

C12H25NS2 — CID 528751

IUPAC4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane
SMILESCCCCCC1NC(C)SC(CCC)S1
InChIInChI=1S/C12H25NS2/c1-4-6-7-9-11-13-10(3)14-12(15-11)8-5-2/h10-13H,4-9H2,1-3H3
InChIKeyRKMPUSJCAKKOPB-UHFFFAOYSA-N
MW247.47 g/mol
LogP4.43
Rot. Bonds6

About 4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane

4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane (PubChem CID 528751) has the molecular formula C12H25NS2 and a molecular weight of 247.47 g/mol. Its IUPAC name is 4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane
PubChem CID528751
Molecular FormulaC12H25NS2
Molecular Weight247.47 g/mol
Exact Mass247.14
IUPAC Name4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane
SMILESCCCCCC1NC(C)SC(CCC)S1
InChIInChI=1S/C12H25NS2/c1-4-6-7-9-11-13-10(3)14-12(15-11)8-5-2/h10-13H,4-9H2,1-3H3
InChIKeyRKMPUSJCAKKOPB-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.47
LogP ≤ 54.43
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-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane?
The IUPAC name of 4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane (CID 528751) is 4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane.
What is the SMILES notation for 4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane?
The canonical SMILES for 4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane is CCCCCC1NC(C)SC(CCC)S1.
What is the InChIKey of 4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane?
The InChIKey is RKMPUSJCAKKOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS2/c1-4-6-7-9-11-13-10(3)14-12(15-11)8-5-2/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane?
4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane has a molecular weight of 247.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-pentyl-2-propyl-1,3,5-dithiazinane is sourced from PubChem (CID 528751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).