3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane

C12H23NO3S — CID 110197987

IUPAC3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane
SMILESCCCS(=O)(=O)N1CCC2(CCC2OC)CC1
InChIInChI=1S/C12H23NO3S/c1-3-10-17(14,15)13-8-6-12(7-9-13)5-4-11(12)16-2/h11H,3-10H2,1-2H3
InChIKeyQKDZBOLUBKGYAW-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.62
Rot. Bonds4

About 3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane

3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane (PubChem CID 110197987) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane
PubChem CID110197987
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane
SMILESCCCS(=O)(=O)N1CCC2(CCC2OC)CC1
InChIInChI=1S/C12H23NO3S/c1-3-10-17(14,15)13-8-6-12(7-9-13)5-4-11(12)16-2/h11H,3-10H2,1-2H3
InChIKeyQKDZBOLUBKGYAW-UHFFFAOYSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane?
The IUPAC name of 3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane (CID 110197987) is 3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane.
What is the SMILES notation for 3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane?
The canonical SMILES for 3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane is CCCS(=O)(=O)N1CCC2(CCC2OC)CC1.
What is the InChIKey of 3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane?
The InChIKey is QKDZBOLUBKGYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-3-10-17(14,15)13-8-6-12(7-9-13)5-4-11(12)16-2/h11H,3-10H2,1-2H3.
What are the key properties of 3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane?
3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane has a molecular weight of 261.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-7-propylsulfonyl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 110197987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).