morpholin-2-ylmethanesulfonic acid

C5H11NO4S — CID 56653291

IUPACmorpholin-2-ylmethanesulfonic acid
SMILESO=S(=O)(O)CC1CNCCO1
InChIInChI=1S/C5H11NO4S/c7-11(8,9)4-5-3-6-1-2-10-5/h5-6H,1-4H2,(H,7,8,9)
InChIKeySNJCPSITUUUPFH-UHFFFAOYSA-N
MW181.21 g/mol
LogP-1.14
Rot. Bonds2

About morpholin-2-ylmethanesulfonic acid

morpholin-2-ylmethanesulfonic acid (PubChem CID 56653291) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is morpholin-2-ylmethanesulfonic acid.

Molecular Properties

Compound Namemorpholin-2-ylmethanesulfonic acid
PubChem CID56653291
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Namemorpholin-2-ylmethanesulfonic acid
SMILESO=S(=O)(O)CC1CNCCO1
InChIInChI=1S/C5H11NO4S/c7-11(8,9)4-5-3-6-1-2-10-5/h5-6H,1-4H2,(H,7,8,9)
InChIKeySNJCPSITUUUPFH-UHFFFAOYSA-N
XLogP-1.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholin-2-ylmethanesulfonic acid?
The IUPAC name of morpholin-2-ylmethanesulfonic acid (CID 56653291) is morpholin-2-ylmethanesulfonic acid.
What is the SMILES notation for morpholin-2-ylmethanesulfonic acid?
The canonical SMILES for morpholin-2-ylmethanesulfonic acid is O=S(=O)(O)CC1CNCCO1.
What is the InChIKey of morpholin-2-ylmethanesulfonic acid?
The InChIKey is SNJCPSITUUUPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c7-11(8,9)4-5-3-6-1-2-10-5/h5-6H,1-4H2,(H,7,8,9).
What are the key properties of morpholin-2-ylmethanesulfonic acid?
morpholin-2-ylmethanesulfonic acid has a molecular weight of 181.21 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-ylmethanesulfonic acid is sourced from PubChem (CID 56653291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).