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

C11H21NO3S — CID 104550224

IUPAC[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol
SMILESO=S1(=O)CCCN1CC1CCCCC1CO
InChIInChI=1S/C11H21NO3S/c13-9-11-5-2-1-4-10(11)8-12-6-3-7-16(12,14)15/h10-11,13H,1-9H2
InChIKeyLQEMGVBMJOSNHX-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.82
Rot. Bonds3

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

[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol (PubChem CID 104550224) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol
PubChem CID104550224
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol
SMILESO=S1(=O)CCCN1CC1CCCCC1CO
InChIInChI=1S/C11H21NO3S/c13-9-11-5-2-1-4-10(11)8-12-6-3-7-16(12,14)15/h10-11,13H,1-9H2
InChIKeyLQEMGVBMJOSNHX-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol (CID 104550224) is [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol is O=S1(=O)CCCN1CC1CCCCC1CO.
What is the InChIKey of [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol?
The InChIKey is LQEMGVBMJOSNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-9-11-5-2-1-4-10(11)8-12-6-3-7-16(12,14)15/h10-11,13H,1-9H2.
What are the key properties of [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol?
[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol has a molecular weight of 247.36 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 104550224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).