3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid

C11H18N2O6S2 — CID 43359328

IUPAC3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H18N2O6S2/c14-10(13-8-20-7-9(13)11(15)16)1-6-21(17,18)12-2-4-19-5-3-12/h9H,1-8H2,(H,15,16)
InChIKeyRMEXGOROESUSBQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP-0.98
Rot. Bonds5

About 3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid

3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359328) has the molecular formula C11H18N2O6S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359328
Molecular FormulaC11H18N2O6S2
Molecular Weight338.41 g/mol
Exact Mass338.06
IUPAC Name3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H18N2O6S2/c14-10(13-8-20-7-9(13)11(15)16)1-6-21(17,18)12-2-4-19-5-3-12/h9H,1-8H2,(H,15,16)
InChIKeyRMEXGOROESUSBQ-UHFFFAOYSA-N
XLogP-0.98
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
1-(3-hydroxypyrrolidin-1-yl)-3-morpholin-4-ylsulfonylpropan-1-one
CID 62918616
3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359164
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
(4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161160
3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61158002
propan-2-yl 3-morpholin-4-ylsulfonylpropanoate
CID 112724899
3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61158757
(4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 113280688
(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837022
3-(5-amino-4-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82011615

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 43359328) is 3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)CCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RMEXGOROESUSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6S2/c14-10(13-8-20-7-9(13)11(15)16)1-6-21(17,18)12-2-4-19-5-3-12/h9H,1-8H2,(H,15,16).
What are the key properties of 3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of -0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylsulfonylpropanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).