2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol

C10H21NO3S — CID 21394496

IUPAC2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol
SMILESCC1(C)CS(=O)(=O)CC(C)(C)N1CCO
InChIInChI=1S/C10H21NO3S/c1-9(2)7-15(13,14)8-10(3,4)11(9)5-6-12/h12H,5-8H2,1-4H3
InChIKeyDHSATRVYZPFTJT-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.27
Rot. Bonds2

About 2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol

2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol (PubChem CID 21394496) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol
PubChem CID21394496
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol
SMILESCC1(C)CS(=O)(=O)CC(C)(C)N1CCO
InChIInChI=1S/C10H21NO3S/c1-9(2)7-15(13,14)8-10(3,4)11(9)5-6-12/h12H,5-8H2,1-4H3
InChIKeyDHSATRVYZPFTJT-UHFFFAOYSA-N
XLogP0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol?
The IUPAC name of 2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol (CID 21394496) is 2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol.
What is the SMILES notation for 2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol?
The canonical SMILES for 2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol is CC1(C)CS(=O)(=O)CC(C)(C)N1CCO.
What is the InChIKey of 2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol?
The InChIKey is DHSATRVYZPFTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2)7-15(13,14)8-10(3,4)11(9)5-6-12/h12H,5-8H2,1-4H3.
What are the key properties of 2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol?
2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol has a molecular weight of 235.35 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,5,5-tetramethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanol is sourced from PubChem (CID 21394496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).