2-(2-thiomorpholin-4-ylethoxy)benzoic acid

C13H17NO3S — CID 43532595

IUPAC2-(2-thiomorpholin-4-ylethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCSCC1
InChIInChI=1S/C13H17NO3S/c15-13(16)11-3-1-2-4-12(11)17-8-5-14-6-9-18-10-7-14/h1-4H,5-10H2,(H,15,16)
InChIKeyAGZTZQCYAJVVMA-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.81
Rot. Bonds5

About 2-(2-thiomorpholin-4-ylethoxy)benzoic acid

2-(2-thiomorpholin-4-ylethoxy)benzoic acid (PubChem CID 43532595) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(2-thiomorpholin-4-ylethoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-thiomorpholin-4-ylethoxy)benzoic acid
PubChem CID43532595
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-(2-thiomorpholin-4-ylethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCSCC1
InChIInChI=1S/C13H17NO3S/c15-13(16)11-3-1-2-4-12(11)17-8-5-14-6-9-18-10-7-14/h1-4H,5-10H2,(H,15,16)
InChIKeyAGZTZQCYAJVVMA-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
2-[2-(2-methylthiomorpholin-4-yl)ethoxy]benzoic acid
CID 113498440
2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 43532589
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
CID 86993650
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
4-(2-naphthalen-1-yloxyethyl)thiomorpholine
CID 48568928
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid
CID 22680945
2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]benzoic acid
CID 63068279
2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid
CID 43532506
2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid
CID 43532494

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiomorpholin-4-ylethoxy)benzoic acid?
The IUPAC name of 2-(2-thiomorpholin-4-ylethoxy)benzoic acid (CID 43532595) is 2-(2-thiomorpholin-4-ylethoxy)benzoic acid.
What is the SMILES notation for 2-(2-thiomorpholin-4-ylethoxy)benzoic acid?
The canonical SMILES for 2-(2-thiomorpholin-4-ylethoxy)benzoic acid is O=C(O)c1ccccc1OCCN1CCSCC1.
What is the InChIKey of 2-(2-thiomorpholin-4-ylethoxy)benzoic acid?
The InChIKey is AGZTZQCYAJVVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-13(16)11-3-1-2-4-12(11)17-8-5-14-6-9-18-10-7-14/h1-4H,5-10H2,(H,15,16).
What are the key properties of 2-(2-thiomorpholin-4-ylethoxy)benzoic acid?
2-(2-thiomorpholin-4-ylethoxy)benzoic acid has a molecular weight of 267.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiomorpholin-4-ylethoxy)benzoic acid is sourced from PubChem (CID 43532595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).