2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid

C10H17NO5S2 — CID 55235918

IUPAC2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCS(=O)(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C10H17NO5S2/c1-16-4-5-18(14,15)11-8(10(12)13)6-17-9(11)7-2-3-7/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyBUNCJNHAWAVWBQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.20
Rot. Bonds6

About 2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235918) has the molecular formula C10H17NO5S2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235918
Molecular FormulaC10H17NO5S2
Molecular Weight295.38 g/mol
Exact Mass295.05
IUPAC Name2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCS(=O)(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C10H17NO5S2/c1-16-4-5-18(14,15)11-8(10(12)13)6-17-9(11)7-2-3-7/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyBUNCJNHAWAVWBQ-UHFFFAOYSA-N
XLogP0.20
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid (CID 55235918) is 2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid is COCCS(=O)(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BUNCJNHAWAVWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S2/c1-16-4-5-18(14,15)11-8(10(12)13)6-17-9(11)7-2-3-7/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).