(3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one

C11H9FN4O2S — CID 7801851

IUPAC(3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1nnnn1-c1cccc(F)c1
InChIInChI=1S/C11H9FN4O2S/c12-7-2-1-3-8(6-7)16-11(13-14-15-16)19-9-4-5-18-10(9)17/h1-3,6,9H,4-5H2/t9-/m0/s1
InChIKeyWMDNBTYOATXZGP-VIFPVBQESA-N
MW280.28 g/mol
LogP1.21
Rot. Bonds3

About (3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one

(3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one (PubChem CID 7801851) has the molecular formula C11H9FN4O2S and a molecular weight of 280.28 g/mol. Its IUPAC name is (3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one
PubChem CID7801851
Molecular FormulaC11H9FN4O2S
Molecular Weight280.28 g/mol
Exact Mass280.04
IUPAC Name(3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1nnnn1-c1cccc(F)c1
InChIInChI=1S/C11H9FN4O2S/c12-7-2-1-3-8(6-7)16-11(13-14-15-16)19-9-4-5-18-10(9)17/h1-3,6,9H,4-5H2/t9-/m0/s1
InChIKeyWMDNBTYOATXZGP-VIFPVBQESA-N
XLogP1.21
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
The IUPAC name of (3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one (CID 7801851) is (3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one.
What is the SMILES notation for (3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
The canonical SMILES for (3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one is O=C1OCC[C@@H]1Sc1nnnn1-c1cccc(F)c1.
What is the InChIKey of (3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
The InChIKey is WMDNBTYOATXZGP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H9FN4O2S/c12-7-2-1-3-8(6-7)16-11(13-14-15-16)19-9-4-5-18-10(9)17/h1-3,6,9H,4-5H2/t9-/m0/s1.
What are the key properties of (3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
(3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one has a molecular weight of 280.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one is sourced from PubChem (CID 7801851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).