7-(morpholin-4-ylsulfonylamino)heptanoic acid

C11H22N2O5S — CID 28784453

IUPAC7-(morpholin-4-ylsulfonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O5S/c14-11(15)5-3-1-2-4-6-12-19(16,17)13-7-9-18-10-8-13/h12H,1-10H2,(H,14,15)
InChIKeyFHRNRSHBLZCOEG-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.19
Rot. Bonds9

About 7-(morpholin-4-ylsulfonylamino)heptanoic acid

7-(morpholin-4-ylsulfonylamino)heptanoic acid (PubChem CID 28784453) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 7-(morpholin-4-ylsulfonylamino)heptanoic acid.

Molecular Properties

Compound Name7-(morpholin-4-ylsulfonylamino)heptanoic acid
PubChem CID28784453
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name7-(morpholin-4-ylsulfonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O5S/c14-11(15)5-3-1-2-4-6-12-19(16,17)13-7-9-18-10-8-13/h12H,1-10H2,(H,14,15)
InChIKeyFHRNRSHBLZCOEG-UHFFFAOYSA-N
XLogP0.19
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid
CID 28783630
N-(3-iodopropyl)morpholine-4-sulfonamide
CID 114504667
N-[3-(ethylamino)propyl]morpholine-4-sulfonamide
CID 43606633
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
2-[[2-(morpholin-4-ylsulfonylamino)acetyl]amino]acetic acid
CID 43465613
N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide
CID 43606820
7-(morpholin-4-ylcarbamoylamino)heptanoic acid
CID 83020507
methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate
CID 43423056
5-(2-morpholin-4-ylethylamino)pentanoic acid
CID 103235757
N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide
CID 103834903
N-[2-(dimethylamino)ethyl]morpholine-4-sulfonamide
CID 110705984
(3R)-3-[[(2R)-3-methyl-1-[3-(morpholin-4-ylsulfonylamino)propylamino]-1-oxobutan-2-yl]carbamoyl]dodecanoic acid
CID 135681485

Frequently Asked Questions

What is the IUPAC name of 7-(morpholin-4-ylsulfonylamino)heptanoic acid?
The IUPAC name of 7-(morpholin-4-ylsulfonylamino)heptanoic acid (CID 28784453) is 7-(morpholin-4-ylsulfonylamino)heptanoic acid.
What is the SMILES notation for 7-(morpholin-4-ylsulfonylamino)heptanoic acid?
The canonical SMILES for 7-(morpholin-4-ylsulfonylamino)heptanoic acid is O=C(O)CCCCCCNS(=O)(=O)N1CCOCC1.
What is the InChIKey of 7-(morpholin-4-ylsulfonylamino)heptanoic acid?
The InChIKey is FHRNRSHBLZCOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c14-11(15)5-3-1-2-4-6-12-19(16,17)13-7-9-18-10-8-13/h12H,1-10H2,(H,14,15).
What are the key properties of 7-(morpholin-4-ylsulfonylamino)heptanoic acid?
7-(morpholin-4-ylsulfonylamino)heptanoic acid has a molecular weight of 294.37 g/mol, XLogP of 0.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholin-4-ylsulfonylamino)heptanoic acid is sourced from PubChem (CID 28784453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).