1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid

C11H19NO4S — CID 61292635

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CCCS2(=O)=O)C1
InChIInChI=1S/C11H19NO4S/c1-9-4-2-5-11(8-9,10(13)14)12-6-3-7-17(12,15)16/h9H,2-8H2,1H3,(H,13,14)
InChIKeyIXXKFRZWIDVPKI-UHFFFAOYSA-N
MW261.34 g/mol
LogP1.06
Rot. Bonds2

About 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid

1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid (PubChem CID 61292635) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid
PubChem CID61292635
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CCCS2(=O)=O)C1
InChIInChI=1S/C11H19NO4S/c1-9-4-2-5-11(8-9,10(13)14)12-6-3-7-17(12,15)16/h9H,2-8H2,1H3,(H,13,14)
InChIKeyIXXKFRZWIDVPKI-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid (CID 61292635) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(C(=O)O)(N2CCCS2(=O)=O)C1.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is IXXKFRZWIDVPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-9-4-2-5-11(8-9,10(13)14)12-6-3-7-17(12,15)16/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 1.06, 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)-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61292635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).