2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane

C8H17NS2 — CID 529052

IUPAC2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane
SMILESCC1NC(C(C)C)SC(C)S1
InChIInChI=1S/C8H17NS2/c1-5(2)8-9-6(3)10-7(4)11-8/h5-9H,1-4H3
InChIKeyNOOYZCFJVKLILW-UHFFFAOYSA-N
MW191.36 g/mol
LogP2.73
Rot. Bonds1

About 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane

2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane (PubChem CID 529052) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane.

Molecular Properties

Compound Name2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane
PubChem CID529052
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC Name2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane
SMILESCC1NC(C(C)C)SC(C)S1
InChIInChI=1S/C8H17NS2/c1-5(2)8-9-6(3)10-7(4)11-8/h5-9H,1-4H3
InChIKeyNOOYZCFJVKLILW-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane
CID 529056
2,4,6-Triisobutyl-5,6-dihydro-4H-1,3,5-dithiazine
CID 46941523
2,4,6-Triethyl-1,3,5-dithiazinane
CID 547350
2-Isopropyl-4,6-dimethyldihydro-1,3,5-dithiazine
CID 529055
2-Ethyl-4,6-dimethyldihydro-1,3,5-dithiazine
CID 529054
4-Isobutyl-2,6-dimethyl-1,3,5-dithiazinane
CID 71587382
Dihydro-4,6-dimethyl-2-(1-methylpropyl)-4H-1,3,5-dithiazine
CID 88622901
Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine
CID 88623012
4-Ethyldihydro-2,6-dimethyl-4H-1,3,5-dithiazine
CID 528360
1,3,5-Dithiazine, perhydro-6-butyl-2,4-dimethyl
CID 529058
2-(Propan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061403
1,3,5-Dithiazine, perhydro-4,6-dimethyl-2-pentyl
CID 528750

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane?
The IUPAC name of 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane (CID 529052) is 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane.
What is the SMILES notation for 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane?
The canonical SMILES for 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane is CC1NC(C(C)C)SC(C)S1.
What is the InChIKey of 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane?
The InChIKey is NOOYZCFJVKLILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-5(2)8-9-6(3)10-7(4)11-8/h5-9H,1-4H3.
What are the key properties of 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane?
2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane has a molecular weight of 191.36 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane is sourced from PubChem (CID 529052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).