4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid

C10H19NO4S2 — CID 106727669

IUPAC4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid
SMILESCCCS(=O)(=O)CCN1CCSCC1C(=O)O
InChIInChI=1S/C10H19NO4S2/c1-2-6-17(14,15)7-4-11-3-5-16-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyVFPWXJDIGDWIBO-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.31
Rot. Bonds6

About 4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid

4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid (PubChem CID 106727669) has the molecular formula C10H19NO4S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid
PubChem CID106727669
Molecular FormulaC10H19NO4S2
Molecular Weight281.40 g/mol
Exact Mass281.08
IUPAC Name4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid
SMILESCCCS(=O)(=O)CCN1CCSCC1C(=O)O
InChIInChI=1S/C10H19NO4S2/c1-2-6-17(14,15)7-4-11-3-5-16-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyVFPWXJDIGDWIBO-UHFFFAOYSA-N
XLogP0.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-tert-butylsulfonylethyl)thiomorpholine-3-carboxylic acid
CID 106727671
4-(3-methylsulfonylpropyl)thiomorpholine-3-carboxylic acid
CID 82905864
4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid
CID 82905755
4-[3-(dimethylamino)propyl]thiomorpholine-3-carboxylic acid
CID 114525954
4-(3-methylbut-3-enyl)thiomorpholine-3-carboxylic acid
CID 114473231
2-methyl-1-(2-propylsulfonylethyl)pyrrolidine-3-carboxylic acid
CID 106727622
4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid
CID 82909368
4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid
CID 82906797
5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid
CID 106726403
4-pent-4-enylthiomorpholine-3-carboxylic acid
CID 82906566
3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24703125
4-(4-cyano-4-methylpentyl)thiomorpholine-3-carboxylic acid
CID 82906395

Frequently Asked Questions

What is the IUPAC name of 4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid (CID 106727669) is 4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid is CCCS(=O)(=O)CCN1CCSCC1C(=O)O.
What is the InChIKey of 4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid?
The InChIKey is VFPWXJDIGDWIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S2/c1-2-6-17(14,15)7-4-11-3-5-16-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid?
4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propylsulfonylethyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 106727669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).