2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid

C11H19NO4S — CID 54902151

IUPAC2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid
SMILESO=C(O)C(C1CCCCC1)N1CCCS1(=O)=O
InChIInChI=1S/C11H19NO4S/c13-11(14)10(9-5-2-1-3-6-9)12-7-4-8-17(12,15)16/h9-10H,1-8H2,(H,13,14)
InChIKeyXRNSVDUFWZLEQU-UHFFFAOYSA-N
MW261.34 g/mol
LogP1.06
Rot. Bonds3

About 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid

2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid (PubChem CID 54902151) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid
PubChem CID54902151
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid
SMILESO=C(O)C(C1CCCCC1)N1CCCS1(=O)=O
InChIInChI=1S/C11H19NO4S/c13-11(14)10(9-5-2-1-3-6-9)12-7-4-8-17(12,15)16/h9-10H,1-8H2,(H,13,14)
InChIKeyXRNSVDUFWZLEQU-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid (CID 54902151) is 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid is O=C(O)C(C1CCCCC1)N1CCCS1(=O)=O.
What is the InChIKey of 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid?
The InChIKey is XRNSVDUFWZLEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-11(14)10(9-5-2-1-3-6-9)12-7-4-8-17(12,15)16/h9-10H,1-8H2,(H,13,14).
What are the key properties of 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid?
2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid has a molecular weight of 261.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid is sourced from PubChem (CID 54902151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).