1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid

C10H17NO4S — CID 61291035

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(N2CCCS2(=O)=O)CCCCC1
InChIInChI=1S/C10H17NO4S/c12-9(13)10(5-2-1-3-6-10)11-7-4-8-16(11,14)15/h1-8H2,(H,12,13)
InChIKeyDHGQARJWKPCMMT-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.81
Rot. Bonds2

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

1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 61291035) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
PubChem CID61291035
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(N2CCCS2(=O)=O)CCCCC1
InChIInChI=1S/C10H17NO4S/c12-9(13)10(5-2-1-3-6-10)11-7-4-8-16(11,14)15/h1-8H2,(H,12,13)
InChIKeyDHGQARJWKPCMMT-UHFFFAOYSA-N
XLogP0.81
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.81
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)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid (CID 61291035) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(N2CCCS2(=O)=O)CCCCC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is DHGQARJWKPCMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-9(13)10(5-2-1-3-6-10)11-7-4-8-16(11,14)15/h1-8H2,(H,12,13).
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.81, 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)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61291035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).