8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane

C13H23NO4S — CID 133140494

IUPAC8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1
InChIInChI=1S/C13H23NO4S/c1-2-17-11-9-13(18-10-11)5-7-14(8-6-13)19(15,16)12-3-4-12/h11-12H,2-10H2,1H3
InChIKeySPCPYOXEVCXBSC-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.14
Rot. Bonds4

About 8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane

8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 133140494) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is 8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID133140494
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1
InChIInChI=1S/C13H23NO4S/c1-2-17-11-9-13(18-10-11)5-7-14(8-6-13)19(15,16)12-3-4-12/h11-12H,2-10H2,1H3
InChIKeySPCPYOXEVCXBSC-UHFFFAOYSA-N
XLogP1.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane (CID 133140494) is 8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane is CCOC1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1.
What is the InChIKey of 8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is SPCPYOXEVCXBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-2-17-11-9-13(18-10-11)5-7-14(8-6-13)19(15,16)12-3-4-12/h11-12H,2-10H2,1H3.
What are the key properties of 8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane?
8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 289.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylsulfonyl-3-ethoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 133140494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).