Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine

C9H19NS2 — CID 88623012

IUPAC4-butan-2-yl-2,6-dimethyl-1,3,5-dithiazinane
SMILESCCC(C)C1NC(SC(S1)C)C
InChIInChI=1S/C9H19NS2/c1-5-6(2)9-10-7(3)11-8(4)12-9/h6-10H,5H2,1-4H3
InChIKeyWONMKWKUDGYZEA-UHFFFAOYSA-N
MW205.40 g/mol
LogP3.80
Rot. Bonds2

About Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine

Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine (PubChem CID 88623012) has the molecular formula C9H19NS2 and a molecular weight of 205.40 g/mol. Its IUPAC name is 4-butan-2-yl-2,6-dimethyl-1,3,5-dithiazinane.

Molecular Properties

Compound NameDihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine
PubChem CID88623012
Molecular FormulaC9H19NS2
Molecular Weight205.40 g/mol
Exact Mass205.10
IUPAC Name4-butan-2-yl-2,6-dimethyl-1,3,5-dithiazinane
SMILESCCC(C)C1NC(SC(S1)C)C
InChIInChI=1S/C9H19NS2/c1-5-6(2)9-10-7(3)11-8(4)12-9/h6-10H,5H2,1-4H3
InChIKeyWONMKWKUDGYZEA-UHFFFAOYSA-N
XLogP3.80
TPSA62.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity140

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine?
The IUPAC name of Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine (CID 88623012) is 4-butan-2-yl-2,6-dimethyl-1,3,5-dithiazinane.
What is the SMILES notation for Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine?
The canonical SMILES for Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine is CCC(C)C1NC(SC(S1)C)C.
What is the InChIKey of Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine?
The InChIKey is WONMKWKUDGYZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c1-5-6(2)9-10-7(3)11-8(4)12-9/h6-10H,5H2,1-4H3.
What are the key properties of Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine?
Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine has a molecular weight of 205.40 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine is sourced from PubChem (CID 88623012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).