4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide

C10H19NO3S — CID 66473309

IUPAC4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(CCC2OCCCO2)CC1
InChIInChI=1S/C10H19NO3S/c12-15-8-4-11(5-9-15)3-2-10-13-6-1-7-14-10/h10H,1-9H2
InChIKeyUCKBKGNWADIGKX-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.20
Rot. Bonds3

About 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide

4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide (PubChem CID 66473309) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide
PubChem CID66473309
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(CCC2OCCCO2)CC1
InChIInChI=1S/C10H19NO3S/c12-15-8-4-11(5-9-15)3-2-10-13-6-1-7-14-10/h10H,1-9H2
InChIKeyUCKBKGNWADIGKX-UHFFFAOYSA-N
XLogP0.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide (CID 66473309) is 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide is O=S1CCN(CCC2OCCCO2)CC1.
What is the InChIKey of 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide?
The InChIKey is UCKBKGNWADIGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-15-8-4-11(5-9-15)3-2-10-13-6-1-7-14-10/h10H,1-9H2.
What are the key properties of 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide?
4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide has a molecular weight of 233.33 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxan-2-yl)ethyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66473309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).