methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate

C11H19NO6S — CID 78931824

IUPACmethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H19NO6S/c1-9(10(13)16-2)19(14,15)12-5-3-11(4-6-12)17-7-8-18-11/h9H,3-8H2,1-2H3
InChIKeyONSRSQRNLUXEEJ-UHFFFAOYSA-N
MW293.34 g/mol
LogP-0.28
Rot. Bonds3

About methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate

methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate (PubChem CID 78931824) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate
PubChem CID78931824
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Namemethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H19NO6S/c1-9(10(13)16-2)19(14,15)12-5-3-11(4-6-12)17-7-8-18-11/h9H,3-8H2,1-2H3
InChIKeyONSRSQRNLUXEEJ-UHFFFAOYSA-N
XLogP-0.28
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate?
The IUPAC name of methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate (CID 78931824) is methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate.
What is the SMILES notation for methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate?
The canonical SMILES for methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate is COC(=O)C(C)S(=O)(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate?
The InChIKey is ONSRSQRNLUXEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-9(10(13)16-2)19(14,15)12-5-3-11(4-6-12)17-7-8-18-11/h9H,3-8H2,1-2H3.
What are the key properties of methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate?
methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate has a molecular weight of 293.34 g/mol, XLogP of -0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)propanoate is sourced from PubChem (CID 78931824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).