3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate

C10H19NO4S — CID 86640798

IUPAC3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate
SMILESCS(=O)(=O)OCCCN1CC(O)C2(CC2)C1
InChIInChI=1S/C10H19NO4S/c1-16(13,14)15-6-2-5-11-7-9(12)10(8-11)3-4-10/h9,12H,2-8H2,1H3
InChIKeyKCUJDLZEOZDTHL-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.19
Rot. Bonds5

About 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate

3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate (PubChem CID 86640798) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate.

Molecular Properties

Compound Name3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate
PubChem CID86640798
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate
SMILESCS(=O)(=O)OCCCN1CC(O)C2(CC2)C1
InChIInChI=1S/C10H19NO4S/c1-16(13,14)15-6-2-5-11-7-9(12)10(8-11)3-4-10/h9,12H,2-8H2,1H3
InChIKeyKCUJDLZEOZDTHL-UHFFFAOYSA-N
XLogP-0.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate?
The IUPAC name of 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate (CID 86640798) is 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate.
What is the SMILES notation for 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate?
The canonical SMILES for 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate is CS(=O)(=O)OCCCN1CC(O)C2(CC2)C1.
What is the InChIKey of 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate?
The InChIKey is KCUJDLZEOZDTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-16(13,14)15-6-2-5-11-7-9(12)10(8-11)3-4-10/h9,12H,2-8H2,1H3.
What are the key properties of 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate?
3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate has a molecular weight of 249.33 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)propyl methanesulfonate is sourced from PubChem (CID 86640798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).