2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

C6H11NO3S — CID 19039784

IUPAC2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESO=C(CO)N1CCS(=O)CC1
InChIInChI=1S/C6H11NO3S/c8-5-6(9)7-1-3-11(10)4-2-7/h8H,1-5H2
InChIKeyWWLVQTOIXDCJBR-UHFFFAOYSA-N
MW177.22 g/mol
LogP-1.43
Rot. Bonds1

About 2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 19039784) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
PubChem CID19039784
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESO=C(CO)N1CCS(=O)CC1
InChIInChI=1S/C6H11NO3S/c8-5-6(9)7-1-3-11(10)4-2-7/h8H,1-5H2
InChIKeyWWLVQTOIXDCJBR-UHFFFAOYSA-N
XLogP-1.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (CID 19039784) is 2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is O=C(CO)N1CCS(=O)CC1.
What is the InChIKey of 2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is WWLVQTOIXDCJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c8-5-6(9)7-1-3-11(10)4-2-7/h8H,1-5H2.
What are the key properties of 2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 177.22 g/mol, XLogP of -1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 19039784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).