1,1-dioxo-1,4-thiazinan-2-ol

C4H9NO3S — CID 173064377

IUPAC1,1-dioxo-1,4-thiazinan-2-ol
SMILESO=S1(=O)CCNCC1O
InChIInChI=1S/C4H9NO3S/c6-4-3-5-1-2-9(4,7)8/h4-6H,1-3H2
InChIKeyOWOFSBBJZYFYKQ-UHFFFAOYSA-N
MW151.19 g/mol
LogP-1.68
Rot. Bonds

About 1,1-dioxo-1,4-thiazinan-2-ol

1,1-dioxo-1,4-thiazinan-2-ol (PubChem CID 173064377) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 1,1-dioxo-1,4-thiazinan-2-ol.

Molecular Properties

Compound Name1,1-dioxo-1,4-thiazinan-2-ol
PubChem CID173064377
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name1,1-dioxo-1,4-thiazinan-2-ol
SMILESO=S1(=O)CCNCC1O
InChIInChI=1S/C4H9NO3S/c6-4-3-5-1-2-9(4,7)8/h4-6H,1-3H2
InChIKeyOWOFSBBJZYFYKQ-UHFFFAOYSA-N
XLogP-1.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-1,4-thiazinan-2-ol?
The IUPAC name of 1,1-dioxo-1,4-thiazinan-2-ol (CID 173064377) is 1,1-dioxo-1,4-thiazinan-2-ol.
What is the SMILES notation for 1,1-dioxo-1,4-thiazinan-2-ol?
The canonical SMILES for 1,1-dioxo-1,4-thiazinan-2-ol is O=S1(=O)CCNCC1O.
What is the InChIKey of 1,1-dioxo-1,4-thiazinan-2-ol?
The InChIKey is OWOFSBBJZYFYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c6-4-3-5-1-2-9(4,7)8/h4-6H,1-3H2.
What are the key properties of 1,1-dioxo-1,4-thiazinan-2-ol?
1,1-dioxo-1,4-thiazinan-2-ol has a molecular weight of 151.19 g/mol, XLogP of -1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-1,4-thiazinan-2-ol is sourced from PubChem (CID 173064377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).