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

C15H21NO3S2 — CID 90510709

IUPAC8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)cc1
InChIInChI=1S/C15H21NO3S2/c1-2-13-3-5-14(6-4-13)21(17,18)16-9-7-15(8-10-16)19-11-12-20-15/h3-6H,2,7-12H2,1H3
InChIKeyNPHMIMDBVVVPRY-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.49
Rot. Bonds3

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

8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 90510709) has the molecular formula C15H21NO3S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID90510709
Molecular FormulaC15H21NO3S2
Molecular Weight327.47 g/mol
Exact Mass327.10
IUPAC Name8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESCCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)cc1
InChIInChI=1S/C15H21NO3S2/c1-2-13-3-5-14(6-4-13)21(17,18)16-9-7-15(8-10-16)19-11-12-20-15/h3-6H,2,7-12H2,1H3
InChIKeyNPHMIMDBVVVPRY-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 90510709) is 8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is CCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)cc1.
What is the InChIKey of 8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is NPHMIMDBVVVPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S2/c1-2-13-3-5-14(6-4-13)21(17,18)16-9-7-15(8-10-16)19-11-12-20-15/h3-6H,2,7-12H2,1H3.
What are the key properties of 8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane has a molecular weight of 327.47 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 90510709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).