(5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane

C14H18FNO4S — CID 110156770

IUPAC(5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane
SMILESCO[C@H]1CN(S(=O)(=O)c2ccccc2F)C[C@@]12CCCO2
InChIInChI=1S/C14H18FNO4S/c1-19-13-9-16(10-14(13)7-4-8-20-14)21(17,18)12-6-3-2-5-11(12)15/h2-3,5-6,13H,4,7-10H2,1H3/t13-,14-/m0/s1
InChIKeyCFQPQHJGVJRETR-KBPBESRZSA-N
MW315.37 g/mol
LogP1.39
Rot. Bonds3

About (5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane

(5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 110156770) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is (5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane
PubChem CID110156770
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name(5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane
SMILESCO[C@H]1CN(S(=O)(=O)c2ccccc2F)C[C@@]12CCCO2
InChIInChI=1S/C14H18FNO4S/c1-19-13-9-16(10-14(13)7-4-8-20-14)21(17,18)12-6-3-2-5-11(12)15/h2-3,5-6,13H,4,7-10H2,1H3/t13-,14-/m0/s1
InChIKeyCFQPQHJGVJRETR-KBPBESRZSA-N
XLogP1.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane (CID 110156770) is (5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane is CO[C@H]1CN(S(=O)(=O)c2ccccc2F)C[C@@]12CCCO2.
What is the InChIKey of (5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is CFQPQHJGVJRETR-KBPBESRZSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-19-13-9-16(10-14(13)7-4-8-20-14)21(17,18)12-6-3-2-5-11(12)15/h2-3,5-6,13H,4,7-10H2,1H3/t13-,14-/m0/s1.
What are the key properties of (5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane?
(5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 315.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-(2-fluorophenyl)sulfonyl-9-methoxy-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 110156770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).