2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C10H18N2O5S2 — CID 64642077

IUPAC2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(CS(C)(=O)=O)NC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C10H18N2O5S2/c1-6(5-19(3,16)17)11-10(15)12-7(2)18-4-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyRELDSLGTTBESOT-UHFFFAOYSA-N
MW310.40 g/mol
LogP-0.02
Rot. Bonds4

About 2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 64642077) has the molecular formula C10H18N2O5S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID64642077
Molecular FormulaC10H18N2O5S2
Molecular Weight310.40 g/mol
Exact Mass310.07
IUPAC Name2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(CS(C)(=O)=O)NC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C10H18N2O5S2/c1-6(5-19(3,16)17)11-10(15)12-7(2)18-4-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyRELDSLGTTBESOT-UHFFFAOYSA-N
XLogP-0.02
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63995740
3-(3-ethylpentan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63843748
2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235905
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106346742
(2S,4R)-4-hydroxy-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64644214
3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 65042791
3-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63995353
2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63792869
2-cyclopropyl-3-(pentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791706
2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 113484412
3-[1-(4-bromophenyl)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782017
2-ethyl-3-(1-methylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 113472949

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 64642077) is 2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC(CS(C)(=O)=O)NC(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RELDSLGTTBESOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S2/c1-6(5-19(3,16)17)11-10(15)12-7(2)18-4-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 310.40 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 64642077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).