3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate

C10H16NO6S- — CID 153475395

IUPAC3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate
SMILESC=CC(=O)OC(CN1CCOCC1)CS(=O)(=O)[O-]
InChIInChI=1S/C10H17NO6S/c1-2-10(12)17-9(8-18(13,14)15)7-11-3-5-16-6-4-11/h2,9H,1,3-8H2,(H,13,14,15)/p-1
InChIKeyLUIAOLKLOXJUKI-UHFFFAOYSA-M
MW278.31 g/mol
LogP-1.04
Rot. Bonds6

About 3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate

3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate (PubChem CID 153475395) has the molecular formula C10H16NO6S- and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate.

Molecular Properties

Compound Name3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate
PubChem CID153475395
Molecular FormulaC10H16NO6S-
Molecular Weight278.31 g/mol
Exact Mass278.07
IUPAC Name3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate
SMILESC=CC(=O)OC(CN1CCOCC1)CS(=O)(=O)[O-]
InChIInChI=1S/C10H17NO6S/c1-2-10(12)17-9(8-18(13,14)15)7-11-3-5-16-6-4-11/h2,9H,1,3-8H2,(H,13,14,15)/p-1
InChIKeyLUIAOLKLOXJUKI-UHFFFAOYSA-M
XLogP-1.04
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-yl-2-[(E)-non-2-enoyl]oxypropane-1-sulfonate
CID 153475400
2-(4-methylcyclohexanecarbonyl)oxy-3-morpholin-4-ylpropane-1-sulfonate
CID 153475401
2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate
CID 153475374
2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate
CID 153475375
2-(1H-indene-1-carbonyloxy)-3-morpholin-4-ylpropane-1-sulfonate
CID 153475448
2-hexadecanoyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040803
2-benzoyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040781
2-(4-methoxybutanoyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040801
4-O-[(2S)-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxy-3-morpholin-4-ylpropyl] 1-O-methyl (E)-but-2-enedioate
CID 122436425
1-[3-(morpholin-4-ylmethyl)phenyl]ethyl prop-2-enoate
CID 141095807
2-(3-cyclohexylpropanoyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040809
2-(9H-fluorene-9-carbonyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040795

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate?
The IUPAC name of 3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate (CID 153475395) is 3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate.
What is the SMILES notation for 3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate?
The canonical SMILES for 3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate is C=CC(=O)OC(CN1CCOCC1)CS(=O)(=O)[O-].
What is the InChIKey of 3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate?
The InChIKey is LUIAOLKLOXJUKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17NO6S/c1-2-10(12)17-9(8-18(13,14)15)7-11-3-5-16-6-4-11/h2,9H,1,3-8H2,(H,13,14,15)/p-1.
What are the key properties of 3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate?
3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate has a molecular weight of 278.31 g/mol, XLogP of -1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate is sourced from PubChem (CID 153475395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).