2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol

C7H15NO2S — CID 130503051

IUPAC2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC(CO)N1CCS(=O)CC1
InChIInChI=1S/C7H15NO2S/c1-7(6-9)8-2-4-11(10)5-3-8/h7,9H,2-6H2,1H3
InChIKeyHMLKUETUNKBDLI-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.57
Rot. Bonds2

About 2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol

2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol (PubChem CID 130503051) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol
PubChem CID130503051
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC(CO)N1CCS(=O)CC1
InChIInChI=1S/C7H15NO2S/c1-7(6-9)8-2-4-11(10)5-3-8/h7,9H,2-6H2,1H3
InChIKeyHMLKUETUNKBDLI-UHFFFAOYSA-N
XLogP-0.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol?
The IUPAC name of 2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol (CID 130503051) is 2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol.
What is the SMILES notation for 2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol?
The canonical SMILES for 2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol is CC(CO)N1CCS(=O)CC1.
What is the InChIKey of 2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol?
The InChIKey is HMLKUETUNKBDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(6-9)8-2-4-11(10)5-3-8/h7,9H,2-6H2,1H3.
What are the key properties of 2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol?
2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol has a molecular weight of 177.27 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol is sourced from PubChem (CID 130503051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).