2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide

C8H17NO4S2 — CID 155311776

IUPAC2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCN1S(=O)(=O)C(C)(C)CC(C)(C)S1(=O)=O
InChIInChI=1S/C8H17NO4S2/c1-7(2)6-8(3,4)15(12,13)9(5)14(7,10)11/h6H2,1-5H3
InChIKeyRRKFVSNDHULPME-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.54
Rot. Bonds

About 2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide

2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide (PubChem CID 155311776) has the molecular formula C8H17NO4S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
PubChem CID155311776
Molecular FormulaC8H17NO4S2
Molecular Weight255.36 g/mol
Exact Mass255.06
IUPAC Name2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCN1S(=O)(=O)C(C)(C)CC(C)(C)S1(=O)=O
InChIInChI=1S/C8H17NO4S2/c1-7(2)6-8(3,4)15(12,13)9(5)14(7,10)11/h6H2,1-5H3
InChIKeyRRKFVSNDHULPME-UHFFFAOYSA-N
XLogP0.54
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 58997839
CID 57337752
CID 57337752
ethane;1,3,5-trimethyl-3-azabicyclo[3.1.1]heptane
CID 177137532
ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane
CID 168910371
6-methyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide
CID 90369892
(1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid
CID 10909599
6-bromo-2,2,4-trimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide
CID 84644770
2,2,4,5,6-pentamethyl-3H-1λ6,4-benzothiazine 1,1-dioxide
CID 84635002
4,6,6-trimethyl-3-methylidene-1,4-thiazepane 1,1-dioxide
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3-fluoro-1,3-dimethylazetidine
CID 89296536
(3S)-2,2,5,5-tetramethylspiro[2.3]hexan-6-ol
CID 130634198
2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-ol
CID 163338317

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The IUPAC name of 2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide (CID 155311776) is 2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide.
What is the SMILES notation for 2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The canonical SMILES for 2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide is CN1S(=O)(=O)C(C)(C)CC(C)(C)S1(=O)=O.
What is the InChIKey of 2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The InChIKey is RRKFVSNDHULPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S2/c1-7(2)6-8(3,4)15(12,13)9(5)14(7,10)11/h6H2,1-5H3.
What are the key properties of 2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide has a molecular weight of 255.36 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6-pentamethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide is sourced from PubChem (CID 155311776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).