[(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate

C9H16O4S — CID 96581378

IUPAC[(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1CCOC2(CCC2)C1
InChIInChI=1S/C9H16O4S/c1-14(10,11)13-8-3-6-12-9(7-8)4-2-5-9/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyMNPRXHRNZZNZQT-MRVPVSSYSA-N
MW220.29 g/mol
LogP1.06
Rot. Bonds2

About [(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate

[(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate (PubChem CID 96581378) has the molecular formula C9H16O4S and a molecular weight of 220.29 g/mol. Its IUPAC name is [(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate.

Molecular Properties

Compound Name[(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate
PubChem CID96581378
Molecular FormulaC9H16O4S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name[(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1CCOC2(CCC2)C1
InChIInChI=1S/C9H16O4S/c1-14(10,11)13-8-3-6-12-9(7-8)4-2-5-9/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyMNPRXHRNZZNZQT-MRVPVSSYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate 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

[(5S,9S)-2-benzyl-6-oxa-2-azaspiro[4.5]decan-9-yl] methanesulfonate
CID 95970365
O-(1-oxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894176
2-(5-oxaspiro[3.5]nonan-8-yloxy)ethanamine
CID 79893869
5-oxaspiro[3.5]nonan-8-yl 1-oxopropane-1-sulfinate
CID 163437609
N-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)propan-1-amine
CID 79894166
3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine
CID 79894162
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
CID 79906115
N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)cyclobutyl]methanamine
CID 79894716
[(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate
CID 142807025
1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79895699
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904771
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide
CID 79900573

Frequently Asked Questions

What is the IUPAC name of [(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate?
The IUPAC name of [(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate (CID 96581378) is [(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate.
What is the SMILES notation for [(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate?
The canonical SMILES for [(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate is CS(=O)(=O)O[C@@H]1CCOC2(CCC2)C1.
What is the InChIKey of [(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate?
The InChIKey is MNPRXHRNZZNZQT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O4S/c1-14(10,11)13-8-3-6-12-9(7-8)4-2-5-9/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of [(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate?
[(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate has a molecular weight of 220.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate is sourced from PubChem (CID 96581378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).