2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane

C10H21NS2 — CID 150621037

IUPAC2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane
SMILESCC1SC(C(C)C)NC(C(C)C)S1
InChIInChI=1S/C10H21NS2/c1-6(2)9-11-10(7(3)4)13-8(5)12-9/h6-11H,1-5H3
InChIKeyIVXFUCGVUUFSOD-UHFFFAOYSA-N
MW219.42 g/mol
LogP3.37
Rot. Bonds2

About 2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane

2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane (PubChem CID 150621037) has the molecular formula C10H21NS2 and a molecular weight of 219.42 g/mol. Its IUPAC name is 2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane.

Molecular Properties

Compound Name2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane
PubChem CID150621037
Molecular FormulaC10H21NS2
Molecular Weight219.42 g/mol
Exact Mass219.11
IUPAC Name2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane
SMILESCC1SC(C(C)C)NC(C(C)C)S1
InChIInChI=1S/C10H21NS2/c1-6(2)9-11-10(7(3)4)13-8(5)12-9/h6-11H,1-5H3
InChIKeyIVXFUCGVUUFSOD-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane?
The IUPAC name of 2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane (CID 150621037) is 2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane.
What is the SMILES notation for 2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane?
The canonical SMILES for 2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane is CC1SC(C(C)C)NC(C(C)C)S1.
What is the InChIKey of 2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane?
The InChIKey is IVXFUCGVUUFSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2/c1-6(2)9-11-10(7(3)4)13-8(5)12-9/h6-11H,1-5H3.
What are the key properties of 2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane?
2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane has a molecular weight of 219.42 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-di(propan-2-yl)-1,3,5-dithiazinane is sourced from PubChem (CID 150621037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).