2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol

C13H26N2O3S — CID 75433321

IUPAC2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol
SMILESO=S1(=O)CCCN1CCN(CCO)C1CCCCC1
InChIInChI=1S/C13H26N2O3S/c16-11-10-14(13-5-2-1-3-6-13)8-9-15-7-4-12-19(15,17)18/h13,16H,1-12H2
InChIKeyDTUKCBSJPGZHMI-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.65
Rot. Bonds6

About 2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol

2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol (PubChem CID 75433321) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol
PubChem CID75433321
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol
SMILESO=S1(=O)CCCN1CCN(CCO)C1CCCCC1
InChIInChI=1S/C13H26N2O3S/c16-11-10-14(13-5-2-1-3-6-13)8-9-15-7-4-12-19(15,17)18/h13,16H,1-12H2
InChIKeyDTUKCBSJPGZHMI-UHFFFAOYSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol (CID 75433321) is 2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol is O=S1(=O)CCCN1CCN(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol?
The InChIKey is DTUKCBSJPGZHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c16-11-10-14(13-5-2-1-3-6-13)8-9-15-7-4-12-19(15,17)18/h13,16H,1-12H2.
What are the key properties of 2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol?
2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol has a molecular weight of 290.43 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]amino]ethanol is sourced from PubChem (CID 75433321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).