2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid

C13H17NO4S — CID 92966056

IUPAC2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid
SMILESO=C(O)c1ccccc1[S@](=O)CCN1CCOCC1
InChIInChI=1S/C13H17NO4S/c15-13(16)11-3-1-2-4-12(11)19(17)10-7-14-5-8-18-9-6-14/h1-4H,5-10H2,(H,15,16)/t19-/m1/s1
InChIKeyDTMDXGBLTDSCMY-LJQANCHMSA-N
MW283.35 g/mol
LogP0.82
Rot. Bonds5

About 2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid

2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid (PubChem CID 92966056) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid.

Molecular Properties

Compound Name2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid
PubChem CID92966056
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid
SMILESO=C(O)c1ccccc1[S@](=O)CCN1CCOCC1
InChIInChI=1S/C13H17NO4S/c15-13(16)11-3-1-2-4-12(11)19(17)10-7-14-5-8-18-9-6-14/h1-4H,5-10H2,(H,15,16)/t19-/m1/s1
InChIKeyDTMDXGBLTDSCMY-LJQANCHMSA-N
XLogP0.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 131887032
CID 131887032
2-(oxolan-3-ylmethylsulfinyl)benzoic acid
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2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid
CID 60982743
2-(4-phenylbutylsulfinyl)benzoic acid
CID 114334376
4-(2-benzhydrylsulfinylethyl)morpholine
CID 4199893
2-(oxan-4-ylsulfinyl)benzoic acid
CID 63936899
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
4-bromo-2-(2-pyrrolidin-1-ylethylsulfinyl)benzoic acid
CID 107913257
4-(2-morpholin-4-ylethylsulfinyl)aniline
CID 61368306
5-fluoro-2-(2-morpholin-4-ylethylsulfinyl)aniline
CID 81191706
3-MORPHOLIN-4-YL-N-PHENYL-PROPIONAMIDE HYDROCHLORIDE
CID 156595356
3-(2-morpholin-4-ylethylsulfinyl)aniline
CID 81175609

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid?
The IUPAC name of 2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid (CID 92966056) is 2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid.
What is the SMILES notation for 2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid?
The canonical SMILES for 2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid is O=C(O)c1ccccc1[S@](=O)CCN1CCOCC1.
What is the InChIKey of 2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid?
The InChIKey is DTMDXGBLTDSCMY-LJQANCHMSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-13(16)11-3-1-2-4-12(11)19(17)10-7-14-5-8-18-9-6-14/h1-4H,5-10H2,(H,15,16)/t19-/m1/s1.
What are the key properties of 2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid?
2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid has a molecular weight of 283.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid is sourced from PubChem (CID 92966056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).