3-morpholin-4-ylsulfonylpropanoic acid

C7H13NO5S — CID 4962731

IUPAC3-morpholin-4-ylsulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H13NO5S/c9-7(10)1-6-14(11,12)8-2-4-13-5-3-8/h1-6H2,(H,9,10)
InChIKeyBXZBRLVPYVFGDN-UHFFFAOYSA-N
MW223.25 g/mol
LogP-0.88
Rot. Bonds4

About 3-morpholin-4-ylsulfonylpropanoic acid

3-morpholin-4-ylsulfonylpropanoic acid (PubChem CID 4962731) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonylpropanoic acid.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonylpropanoic acid
PubChem CID4962731
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Name3-morpholin-4-ylsulfonylpropanoic acid
SMILESO=C(O)CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H13NO5S/c9-7(10)1-6-14(11,12)8-2-4-13-5-3-8/h1-6H2,(H,9,10)
InChIKeyBXZBRLVPYVFGDN-UHFFFAOYSA-N
XLogP-0.88
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonylpropanoic acid?
The IUPAC name of 3-morpholin-4-ylsulfonylpropanoic acid (CID 4962731) is 3-morpholin-4-ylsulfonylpropanoic acid.
What is the SMILES notation for 3-morpholin-4-ylsulfonylpropanoic acid?
The canonical SMILES for 3-morpholin-4-ylsulfonylpropanoic acid is O=C(O)CCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylsulfonylpropanoic acid?
The InChIKey is BXZBRLVPYVFGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5S/c9-7(10)1-6-14(11,12)8-2-4-13-5-3-8/h1-6H2,(H,9,10).
What are the key properties of 3-morpholin-4-ylsulfonylpropanoic acid?
3-morpholin-4-ylsulfonylpropanoic acid has a molecular weight of 223.25 g/mol, XLogP of -0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonylpropanoic acid is sourced from PubChem (CID 4962731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).