3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane

C14H25NO4S — CID 118739210

IUPAC3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(OCC1CC1)CO2
InChIInChI=1S/C14H25NO4S/c1-2-20(16,17)15-7-5-14(6-8-15)9-13(11-19-14)18-10-12-3-4-12/h12-13H,2-11H2,1H3
InChIKeyHLKZFEHTHPUKMV-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.39
Rot. Bonds5

About 3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane

3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118739210) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID118739210
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(OCC1CC1)CO2
InChIInChI=1S/C14H25NO4S/c1-2-20(16,17)15-7-5-14(6-8-15)9-13(11-19-14)18-10-12-3-4-12/h12-13H,2-11H2,1H3
InChIKeyHLKZFEHTHPUKMV-UHFFFAOYSA-N
XLogP1.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane (CID 118739210) is 3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane is CCS(=O)(=O)N1CCC2(CC1)CC(OCC1CC1)CO2.
What is the InChIKey of 3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is HLKZFEHTHPUKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-2-20(16,17)15-7-5-14(6-8-15)9-13(11-19-14)18-10-12-3-4-12/h12-13H,2-11H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 303.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118739210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).