7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane

C14H19NO5S2 — CID 136561853

IUPAC7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane
SMILESO=S(=O)(c1sccc1C1OCCO1)N1CCC2(CCOC2)C1
InChIInChI=1S/C14H19NO5S2/c16-22(17,15-4-2-14(9-15)3-5-18-10-14)13-11(1-8-21-13)12-19-6-7-20-12/h1,8,12H,2-7,9-10H2
InChIKeyVUEGLWRCYIKCBI-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.59
Rot. Bonds3

About 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane

7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 136561853) has the molecular formula C14H19NO5S2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane
PubChem CID136561853
Molecular FormulaC14H19NO5S2
Molecular Weight345.44 g/mol
Exact Mass345.07
IUPAC Name7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane
SMILESO=S(=O)(c1sccc1C1OCCO1)N1CCC2(CCOC2)C1
InChIInChI=1S/C14H19NO5S2/c16-22(17,15-4-2-14(9-15)3-5-18-10-14)13-11(1-8-21-13)12-19-6-7-20-12/h1,8,12H,2-7,9-10H2
InChIKeyVUEGLWRCYIKCBI-UHFFFAOYSA-N
XLogP1.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane (CID 136561853) is 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane is O=S(=O)(c1sccc1C1OCCO1)N1CCC2(CCOC2)C1.
What is the InChIKey of 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is VUEGLWRCYIKCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S2/c16-22(17,15-4-2-14(9-15)3-5-18-10-14)13-11(1-8-21-13)12-19-6-7-20-12/h1,8,12H,2-7,9-10H2.
What are the key properties of 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane?
7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 345.44 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 136561853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).