cyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

C12H21NO4S — CID 58283121

IUPACcyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESO=C(CN1CCS(=O)(=O)CC1)OC1CCCCC1
InChIInChI=1S/C12H21NO4S/c14-12(17-11-4-2-1-3-5-11)10-13-6-8-18(15,16)9-7-13/h11H,1-10H2
InChIKeyUDPKQORBUXPQHY-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.59
Rot. Bonds3

About cyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

cyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (PubChem CID 58283121) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is cyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
PubChem CID58283121
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Namecyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESO=C(CN1CCS(=O)(=O)CC1)OC1CCCCC1
InChIInChI=1S/C12H21NO4S/c14-12(17-11-4-2-1-3-5-11)10-13-6-8-18(15,16)9-7-13/h11H,1-10H2
InChIKeyUDPKQORBUXPQHY-UHFFFAOYSA-N
XLogP0.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The IUPAC name of cyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (CID 58283121) is cyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The canonical SMILES for cyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is O=C(CN1CCS(=O)(=O)CC1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The InChIKey is UDPKQORBUXPQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c14-12(17-11-4-2-1-3-5-11)10-13-6-8-18(15,16)9-7-13/h11H,1-10H2.
What are the key properties of cyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
cyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate has a molecular weight of 275.37 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is sourced from PubChem (CID 58283121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).