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

C10H19NO3S — CID 102731914

IUPACtrans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
SMILESO=S1(=O)CCN([C@@H]2CCCC[C@H]2O)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/t9-,10-/m1/s1
InChIKeyMOPDZXNGONFMAZ-NXEZZACHSA-N
MW233.33 g/mol
LogP0.02
Rot. Bonds1

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

trans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol (PubChem CID 102731914) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
PubChem CID102731914
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Nametrans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
SMILESO=S1(=O)CCN([C@@H]2CCCC[C@H]2O)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/t9-,10-/m1/s1
InChIKeyMOPDZXNGONFMAZ-NXEZZACHSA-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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Related Compounds

1-[1-(2-Propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol
CID 71861857
6-(1,1-Dioxo-1,4-thiazinan-4-yl)hexan-1-ol
CID 58283267
2-(Thiomorpholin-4-yl)cyclohexan-1-ol
CID 60886308
4-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 104549120
2-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol
CID 60885326
2-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 60885327
2-[(1,1-Dioxothian-4-yl)amino]cyclohexan-1-ol
CID 60885475
[1-(2-Methylsulfonylethyl)piperidin-2-yl]methanol
CID 60967180
(1-Cyclohexylsulfonylpiperidin-2-yl)methanol
CID 61064420
2-(1-Oxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 61555613
4-(2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-yl)-1,1-dioxothiolan-3-ol
CID 61668301
[1-(2-Ethylsulfonylethyl)piperidin-2-yl]methanol
CID 62021560

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol (CID 102731914) is trans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol is O=S1(=O)CCN([C@@H]2CCCC[C@H]2O)CC1.
What is the InChIKey of trans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol?
The InChIKey is MOPDZXNGONFMAZ-NXEZZACHSA-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/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol?
trans-(1R,2R)-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 trans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 102731914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).