4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol

C8H15NO4S — CID 130503022

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol
SMILESO=S1(=O)CCN(C2COCC2O)CC1
InChIInChI=1S/C8H15NO4S/c10-8-6-13-5-7(8)9-1-3-14(11,12)4-2-9/h7-8,10H,1-6H2
InChIKeyQJXMSYBGCQETRC-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.52
Rot. Bonds1

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol

4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol (PubChem CID 130503022) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol
PubChem CID130503022
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol
SMILESO=S1(=O)CCN(C2COCC2O)CC1
InChIInChI=1S/C8H15NO4S/c10-8-6-13-5-7(8)9-1-3-14(11,12)4-2-9/h7-8,10H,1-6H2
InChIKeyQJXMSYBGCQETRC-UHFFFAOYSA-N
XLogP-1.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Hydroxy-4-morpholinotetrahydrothiophene 1,1-dioxide
CID 2831182
(2R,3R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol
CID 154680463
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol
CID 155059559
(3R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol
CID 167099749
(3R,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 1380499
(3R,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 1380500
(3S,4S)-3-Hydroxy-4-morpholinotetrahydrothiophene 1,1-dioxide
CID 6555859
(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 6983471
4-Morpholin-4-yl-1,1-dioxothiolan-3-ol chloride
CID 21179772
4-(4-Methylmorpholin-4-ium-4-yl)-1,1-dioxothiolan-3-ol iodide
CID 21206497
4-(4-Methylmorpholin-4-ium-4-yl)-1,1-dioxothiolan-3-ol
CID 21206498
3-(4-(2-Hydroxy-3-isopropoxypropyl)piperazin-1-yl)tetrahydrothiophene 1,1-dioxide
CID 53369786

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol (CID 130503022) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol is O=S1(=O)CCN(C2COCC2O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol?
The InChIKey is QJXMSYBGCQETRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c10-8-6-13-5-7(8)9-1-3-14(11,12)4-2-9/h7-8,10H,1-6H2.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol?
4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol has a molecular weight of 221.28 g/mol, XLogP of -1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)oxolan-3-ol is sourced from PubChem (CID 130503022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).