(3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane

C18H19FN2O3S — CID 129347964

IUPAC(3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane
SMILESO=S(=O)(c1cncc(F)c1)N1CC2(CCOCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H19FN2O3S/c19-15-10-16(12-20-11-15)25(22,23)21-13-18(6-8-24-9-7-18)17(21)14-4-2-1-3-5-14/h1-5,10-12,17H,6-9,13H2/t17-/m0/s1
InChIKeyRZYPMWCLVDJGES-KRWDZBQOSA-N
MW362.43 g/mol
LogP2.76
Rot. Bonds3

About (3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane

(3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 129347964) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is (3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane
PubChem CID129347964
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name(3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane
SMILESO=S(=O)(c1cncc(F)c1)N1CC2(CCOCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H19FN2O3S/c19-15-10-16(12-20-11-15)25(22,23)21-13-18(6-8-24-9-7-18)17(21)14-4-2-1-3-5-14/h1-5,10-12,17H,6-9,13H2/t17-/m0/s1
InChIKeyRZYPMWCLVDJGES-KRWDZBQOSA-N
XLogP2.76
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane (CID 129347964) is (3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane is O=S(=O)(c1cncc(F)c1)N1CC2(CCOCC2)[C@@H]1c1ccccc1.
What is the InChIKey of (3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is RZYPMWCLVDJGES-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-15-10-16(12-20-11-15)25(22,23)21-13-18(6-8-24-9-7-18)17(21)14-4-2-1-3-5-14/h1-5,10-12,17H,6-9,13H2/t17-/m0/s1.
What are the key properties of (3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane?
(3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 362.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[(5-fluoro-3-pyridinyl)sulfonyl]-3-phenyl-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 129347964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).