[(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate

C11H21NO4S — CID 16738423

IUPAC[(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate
SMILESCS(=O)(=O)O[C@H]1CCCC[C@@H]1N1CCOCC1
InChIInChI=1S/C11H21NO4S/c1-17(13,14)16-11-5-3-2-4-10(11)12-6-8-15-9-7-12/h10-11H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyXXKFHSJCYRPODF-QWRGUYRKSA-N
MW263.36 g/mol
LogP0.61
Rot. Bonds3

About [(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate

[(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate (PubChem CID 16738423) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is [(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate.

Molecular Properties

Compound Name[(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate
PubChem CID16738423
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name[(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate
SMILESCS(=O)(=O)O[C@H]1CCCC[C@@H]1N1CCOCC1
InChIInChI=1S/C11H21NO4S/c1-17(13,14)16-11-5-3-2-4-10(11)12-6-8-15-9-7-12/h10-11H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyXXKFHSJCYRPODF-QWRGUYRKSA-N
XLogP0.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate?
The IUPAC name of [(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate (CID 16738423) is [(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate.
What is the SMILES notation for [(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate?
The canonical SMILES for [(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate is CS(=O)(=O)O[C@H]1CCCC[C@@H]1N1CCOCC1.
What is the InChIKey of [(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate?
The InChIKey is XXKFHSJCYRPODF-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-17(13,14)16-11-5-3-2-4-10(11)12-6-8-15-9-7-12/h10-11H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of [(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate?
[(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate has a molecular weight of 263.36 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-morpholin-4-ylcyclohexyl] methanesulfonate is sourced from PubChem (CID 16738423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).