1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid

C9H16N2O5S — CID 81165451

IUPAC1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)N2CCOCC2)CCC1
InChIInChI=1S/C9H16N2O5S/c12-8(13)9(2-1-3-9)10-17(14,15)11-4-6-16-7-5-11/h10H,1-7H2,(H,12,13)
InChIKeyNXJLLEJRAKUEJX-UHFFFAOYSA-N
MW264.30 g/mol
LogP-0.84
Rot. Bonds4

About 1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid

1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid (PubChem CID 81165451) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid
PubChem CID81165451
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)N2CCOCC2)CCC1
InChIInChI=1S/C9H16N2O5S/c12-8(13)9(2-1-3-9)10-17(14,15)11-4-6-16-7-5-11/h10H,1-7H2,(H,12,13)
InChIKeyNXJLLEJRAKUEJX-UHFFFAOYSA-N
XLogP-0.84
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid (CID 81165451) is 1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)N2CCOCC2)CCC1.
What is the InChIKey of 1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid?
The InChIKey is NXJLLEJRAKUEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c12-8(13)9(2-1-3-9)10-17(14,15)11-4-6-16-7-5-11/h10H,1-7H2,(H,12,13).
What are the key properties of 1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid?
1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid has a molecular weight of 264.30 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81165451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).