4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid

C12H21NO4S — CID 79580790

IUPAC4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2CC(C)CS2(=O)=O)CC1
InChIInChI=1S/C12H21NO4S/c1-9-3-5-12(6-4-9,11(14)15)13-7-10(2)8-18(13,16)17/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyKWDGMANXIDLDLV-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.30
Rot. Bonds2

About 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid

4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 79580790) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
PubChem CID79580790
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2CC(C)CS2(=O)=O)CC1
InChIInChI=1S/C12H21NO4S/c1-9-3-5-12(6-4-9,11(14)15)13-7-10(2)8-18(13,16)17/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyKWDGMANXIDLDLV-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetic acid
CID 54902151
1-(Cyclohexylmethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 54947626
(2S)-1-(cyclohexylmethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 54947730
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carboxylic acid
CID 55032218
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cycloheptane-1-carboxylic acid
CID 61289552
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-4-methylcyclohexane-1-carboxylic acid
CID 61289767
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 61291035
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)-3-methylcyclohexane-1-carboxylic acid
CID 61292635
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 61293414
4-[2-(1,1-Dioxo-1,2-thiazolidin-2-yl)ethyl]heptanoic acid
CID 64342813
1-(Cyclohexylmethylsulfonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 64371284
1-(Cyclohexylmethylsulfonyl)azepane-2-carboxylic acid
CID 64560143

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid (CID 79580790) is 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)(N2CC(C)CS2(=O)=O)CC1.
What is the InChIKey of 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is KWDGMANXIDLDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-9-3-5-12(6-4-9,11(14)15)13-7-10(2)8-18(13,16)17/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid?
4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79580790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).