8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C14H19FN2O3S — CID 91344665

IUPAC8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)NCCO3)c(F)c1
InChIInChI=1S/C14H19FN2O3S/c1-11-2-3-13(12(15)10-11)21(18,19)17-7-4-14(5-8-17)16-6-9-20-14/h2-3,10,16H,4-9H2,1H3
InChIKeyRVJMRXDMOUJJKK-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.23
Rot. Bonds2

About 8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 91344665) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID91344665
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)NCCO3)c(F)c1
InChIInChI=1S/C14H19FN2O3S/c1-11-2-3-13(12(15)10-11)21(18,19)17-7-4-14(5-8-17)16-6-9-20-14/h2-3,10,16H,4-9H2,1H3
InChIKeyRVJMRXDMOUJJKK-UHFFFAOYSA-N
XLogP1.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 91344665) is 8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCCO3)c(F)c1.
What is the InChIKey of 8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is RVJMRXDMOUJJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-11-2-3-13(12(15)10-11)21(18,19)17-7-4-14(5-8-17)16-6-9-20-14/h2-3,10,16H,4-9H2,1H3.
What are the key properties of 8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 314.38 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91344665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).