8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane

C13H16ClNO3S2 — CID 56764687

IUPAC8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H16ClNO3S2/c14-11-3-1-2-4-12(11)20(16,17)15-7-5-13(6-8-15)18-9-10-19-13/h1-4H,5-10H2
InChIKeyDJXKQNIFFVJWFG-UHFFFAOYSA-N
MW333.86 g/mol
LogP2.58
Rot. Bonds2

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

8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 56764687) has the molecular formula C13H16ClNO3S2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID56764687
Molecular FormulaC13H16ClNO3S2
Molecular Weight333.86 g/mol
Exact Mass333.03
IUPAC Name8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CC1)OCCS2
InChIInChI=1S/C13H16ClNO3S2/c14-11-3-1-2-4-12(11)20(16,17)15-7-5-13(6-8-15)18-9-10-19-13/h1-4H,5-10H2
InChIKeyDJXKQNIFFVJWFG-UHFFFAOYSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 56764687) is 8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is O=S(=O)(c1ccccc1Cl)N1CCC2(CC1)OCCS2.
What is the InChIKey of 8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is DJXKQNIFFVJWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3S2/c14-11-3-1-2-4-12(11)20(16,17)15-7-5-13(6-8-15)18-9-10-19-13/h1-4H,5-10H2.
What are the key properties of 8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane has a molecular weight of 333.86 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 56764687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).