2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate

C11H22NO5S- — CID 153475374

IUPAC2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate
SMILESCC(C)(C)OC(CN1CCOCC1)CS(=O)(=O)[O-]
InChIInChI=1S/C11H23NO5S/c1-11(2,3)17-10(9-18(13,14)15)8-12-4-6-16-7-5-12/h10H,4-9H2,1-3H3,(H,13,14,15)/p-1
InChIKeyBOILSZZDGGXFKE-UHFFFAOYSA-M
MW280.37 g/mol
LogP0.05
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate

2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate (PubChem CID 153475374) has the molecular formula C11H22NO5S- and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate
PubChem CID153475374
Molecular FormulaC11H22NO5S-
Molecular Weight280.37 g/mol
Exact Mass280.12
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate
SMILESCC(C)(C)OC(CN1CCOCC1)CS(=O)(=O)[O-]
InChIInChI=1S/C11H23NO5S/c1-11(2,3)17-10(9-18(13,14)15)8-12-4-6-16-7-5-12/h10H,4-9H2,1-3H3,(H,13,14,15)/p-1
InChIKeyBOILSZZDGGXFKE-UHFFFAOYSA-M
XLogP0.05
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate
CID 153475375
3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate
CID 153475395
2-(4-methylcyclohexanecarbonyl)oxy-3-morpholin-4-ylpropane-1-sulfonate
CID 153475401
3-morpholin-4-yl-2-[(E)-non-2-enoyl]oxypropane-1-sulfonate
CID 153475400
2-(1H-indene-1-carbonyloxy)-3-morpholin-4-ylpropane-1-sulfonate
CID 153475448
2-hexoxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040791
2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040794
2-hexadecanoyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040803
2-(4-methoxybutanoyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040801
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate
CID 117242468
tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate (CID 153475374) is 2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate is CC(C)(C)OC(CN1CCOCC1)CS(=O)(=O)[O-].
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate?
The InChIKey is BOILSZZDGGXFKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H23NO5S/c1-11(2,3)17-10(9-18(13,14)15)8-12-4-6-16-7-5-12/h10H,4-9H2,1-3H3,(H,13,14,15)/p-1.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate?
2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate has a molecular weight of 280.37 g/mol, XLogP of 0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate is sourced from PubChem (CID 153475374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).