8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

C11H14ClNO3S3 — CID 56764689

IUPAC8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C11H14ClNO3S3/c12-9-1-2-10(18-9)19(14,15)13-5-3-11(4-6-13)16-7-8-17-11/h1-2H,3-8H2
InChIKeySTWFLFDFNVJLCY-UHFFFAOYSA-N
MW339.89 g/mol
LogP2.65
Rot. Bonds2

About 8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 56764689) has the molecular formula C11H14ClNO3S3 and a molecular weight of 339.89 g/mol. Its IUPAC name is 8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID56764689
Molecular FormulaC11H14ClNO3S3
Molecular Weight339.89 g/mol
Exact Mass338.98
IUPAC Name8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C11H14ClNO3S3/c12-9-1-2-10(18-9)19(14,15)13-5-3-11(4-6-13)16-7-8-17-11/h1-2H,3-8H2
InChIKeySTWFLFDFNVJLCY-UHFFFAOYSA-N
XLogP2.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 56764689) is 8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is O=S(=O)(c1ccc(Cl)s1)N1CCC2(CC1)OCCS2.
What is the InChIKey of 8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is STWFLFDFNVJLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S3/c12-9-1-2-10(18-9)19(14,15)13-5-3-11(4-6-13)16-7-8-17-11/h1-2H,3-8H2.
What are the key properties of 8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane has a molecular weight of 339.89 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 56764689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).