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

C9H19NS2 — CID 88622901

IUPAC2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane
SMILESCCC(C)C1SC(C)NC(C)S1
InChIInChI=1S/C9H19NS2/c1-5-6(2)9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3
InChIKeyBLDFHTPIEUHZJY-UHFFFAOYSA-N
MW205.39 g/mol
LogP3.12
Rot. Bonds2

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

2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane (PubChem CID 88622901) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane
PubChem CID88622901
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane
SMILESCCC(C)C1SC(C)NC(C)S1
InChIInChI=1S/C9H19NS2/c1-5-6(2)9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3
InChIKeyBLDFHTPIEUHZJY-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 53.12
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
Dihydro-2,4-dimethyl-6-(1-methylethyl)-4H-1,3,5-dithiazine
CID 529052
4-Isobutyl-2,6-dimethyl-1,3,5-dithiazinane
CID 71587382
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
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
2,4,6-Tri-isopropyl-[1,3,5]dithiazinane
CID 85555796

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane?
The IUPAC name of 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane (CID 88622901) is 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane.
What is the SMILES notation for 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane?
The canonical SMILES for 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane is CCC(C)C1SC(C)NC(C)S1.
What is the InChIKey of 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane?
The InChIKey is BLDFHTPIEUHZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c1-5-6(2)9-11-7(3)10-8(4)12-9/h6-10H,5H2,1-4H3.
What are the key properties of 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane?
2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane has a molecular weight of 205.39 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4,6-dimethyl-1,3,5-dithiazinane is sourced from PubChem (CID 88622901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).