2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid

C14H17NO5S — CID 60982743

IUPAC2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid
SMILESCC(C(=O)N1CCOCC1)S(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H17NO5S/c1-10(13(16)15-6-8-20-9-7-15)21(19)12-5-3-2-4-11(12)14(17)18/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyDQZUBEYICQRKPW-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.74
Rot. Bonds4

About 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid

2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid (PubChem CID 60982743) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid.

Molecular Properties

Compound Name2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid
PubChem CID60982743
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC Name2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid
SMILESCC(C(=O)N1CCOCC1)S(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H17NO5S/c1-10(13(16)15-6-8-20-9-7-15)21(19)12-5-3-2-4-11(12)14(17)18/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyDQZUBEYICQRKPW-UHFFFAOYSA-N
XLogP0.74
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-5-bromophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one
CID 81207163
2-[(R)-2-morpholin-4-ylethylsulfinyl]benzoic acid
CID 92966056
3-morpholin-4-yl-3-oxo-2-phenylpropanoic acid
CID 102537714
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
(2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95303672
2-(4-amino-2,6-difluorophenyl)sulfinyl-1-morpholin-4-ylpropan-1-one
CID 61369625
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
2-(oxan-4-ylsulfinyl)benzoic acid
CID 63936899
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
2-(2-acetylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 43083116
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid?
The IUPAC name of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid (CID 60982743) is 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid.
What is the SMILES notation for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid?
The canonical SMILES for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid is CC(C(=O)N1CCOCC1)S(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid?
The InChIKey is DQZUBEYICQRKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5S/c1-10(13(16)15-6-8-20-9-7-15)21(19)12-5-3-2-4-11(12)14(17)18/h2-5,10H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid?
2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid has a molecular weight of 311.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfinylbenzoic acid is sourced from PubChem (CID 60982743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).