2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane

C15H31NS2 — CID 46941523

IUPAC2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane
SMILESCC(C)CC1NC(CC(C)C)SC(CC(C)C)S1
InChIInChI=1S/C15H31NS2/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-16H,7-9H2,1-6H3
InChIKeyRQGPQWUKHADVPF-UHFFFAOYSA-N
MW289.55 g/mol
LogP5.17
Rot. Bonds6

About 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane

2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane (PubChem CID 46941523) has the molecular formula C15H31NS2 and a molecular weight of 289.55 g/mol. Its IUPAC name is 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane.

Molecular Properties

Compound Name2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane
PubChem CID46941523
Molecular FormulaC15H31NS2
Molecular Weight289.55 g/mol
Exact Mass289.19
IUPAC Name2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane
SMILESCC(C)CC1NC(CC(C)C)SC(CC(C)C)S1
InChIInChI=1S/C15H31NS2/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-16H,7-9H2,1-6H3
InChIKeyRQGPQWUKHADVPF-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane?
The IUPAC name of 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane (CID 46941523) is 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane.
What is the SMILES notation for 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane?
The canonical SMILES for 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane is CC(C)CC1NC(CC(C)C)SC(CC(C)C)S1.
What is the InChIKey of 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane?
The InChIKey is RQGPQWUKHADVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS2/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-16H,7-9H2,1-6H3.
What are the key properties of 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane?
2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane has a molecular weight of 289.55 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane is sourced from PubChem (CID 46941523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).