4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide

C11H20N2O3S — CID 123695977

IUPAC4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CC3(CCO2)CNC3)CC1
InChIInChI=1S/C11H20N2O3S/c14-17(15)5-2-13(3-6-17)10-7-11(1-4-16-10)8-12-9-11/h10,12H,1-9H2
InChIKeyKZARJMDDUXOEDI-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.56
Rot. Bonds1

About 4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide

4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 123695977) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID123695977
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CC3(CCO2)CNC3)CC1
InChIInChI=1S/C11H20N2O3S/c14-17(15)5-2-13(3-6-17)10-7-11(1-4-16-10)8-12-9-11/h10,12H,1-9H2
InChIKeyKZARJMDDUXOEDI-UHFFFAOYSA-N
XLogP-0.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide (CID 123695977) is 4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(C2CC3(CCO2)CNC3)CC1.
What is the InChIKey of 4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is KZARJMDDUXOEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c14-17(15)5-2-13(3-6-17)10-7-11(1-4-16-10)8-12-9-11/h10,12H,1-9H2.
What are the key properties of 4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide?
4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 260.36 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-oxa-2-azaspiro[3.5]nonan-6-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 123695977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).