2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol

C10H19NO3S — CID 60885327

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
SMILESO=S1(=O)CCN(C2CCCCC2O)CC1
InChIInChI=1S/C10H19NO3S/c12-10-4-2-1-3-9(10)11-5-7-15(13,14)8-6-11/h9-10,12H,1-8H2
InChIKeyMOPDZXNGONFMAZ-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.02
Rot. Bonds1

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol

2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol (PubChem CID 60885327) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
PubChem CID60885327
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
SMILESO=S1(=O)CCN(C2CCCCC2O)CC1
InChIInChI=1S/C10H19NO3S/c12-10-4-2-1-3-9(10)11-5-7-15(13,14)8-6-11/h9-10,12H,1-8H2
InChIKeyMOPDZXNGONFMAZ-UHFFFAOYSA-N
XLogP0.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol (CID 60885327) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol is O=S1(=O)CCN(C2CCCCC2O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol?
The InChIKey is MOPDZXNGONFMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-10-4-2-1-3-9(10)11-5-7-15(13,14)8-6-11/h9-10,12H,1-8H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol?
2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol has a molecular weight of 233.33 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 60885327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).