3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide

C11H19NO4S — CID 78981307

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C11H19NO4S/c13-17(14)8-1-10(9-17)12-4-2-11(3-5-12)15-6-7-16-11/h10H,1-9H2
InChIKeyNIGNAYHINHYJBX-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.01
Rot. Bonds1

About 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide (PubChem CID 78981307) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide
PubChem CID78981307
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C11H19NO4S/c13-17(14)8-1-10(9-17)12-4-2-11(3-5-12)15-6-7-16-11/h10H,1-9H2
InChIKeyNIGNAYHINHYJBX-UHFFFAOYSA-N
XLogP0.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide (CID 78981307) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(N2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide?
The InChIKey is NIGNAYHINHYJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-17(14)8-1-10(9-17)12-4-2-11(3-5-12)15-6-7-16-11/h10H,1-9H2.
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide has a molecular weight of 261.34 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 78981307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).