[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol

C10H19NO3S — CID 104549464

IUPAC[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol
SMILESO=S1(=O)CCCN1C1(CO)CCCCC1
InChIInChI=1S/C10H19NO3S/c12-9-10(5-2-1-3-6-10)11-7-4-8-15(11,13)14/h12H,1-9H2
InChIKeyZEMFLDVRCHHTIG-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.72
Rot. Bonds2

About [1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol

[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol (PubChem CID 104549464) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is [1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol
PubChem CID104549464
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol
SMILESO=S1(=O)CCCN1C1(CO)CCCCC1
InChIInChI=1S/C10H19NO3S/c12-9-10(5-2-1-3-6-10)11-7-4-8-15(11,13)14/h12H,1-9H2
InChIKeyZEMFLDVRCHHTIG-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol?
The IUPAC name of [1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol (CID 104549464) is [1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol?
The canonical SMILES for [1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol is O=S1(=O)CCCN1C1(CO)CCCCC1.
What is the InChIKey of [1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol?
The InChIKey is ZEMFLDVRCHHTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-9-10(5-2-1-3-6-10)11-7-4-8-15(11,13)14/h12H,1-9H2.
What are the key properties of [1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol?
[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol has a molecular weight of 233.33 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 104549464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).