3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one

C16H15N5O2S — CID 56785103

IUPAC3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one
SMILESO=C1C(Sc2nnnn2Cc2ccco2)CCN1c1ccccc1
InChIInChI=1S/C16H15N5O2S/c22-15-14(8-9-20(15)12-5-2-1-3-6-12)24-16-17-18-19-21(16)11-13-7-4-10-23-13/h1-7,10,14H,8-9,11H2
InChIKeyPPCPUNWBXITLJC-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.21
Rot. Bonds5

About 3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one

3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one (PubChem CID 56785103) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one
PubChem CID56785103
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one
SMILESO=C1C(Sc2nnnn2Cc2ccco2)CCN1c1ccccc1
InChIInChI=1S/C16H15N5O2S/c22-15-14(8-9-20(15)12-5-2-1-3-6-12)24-16-17-18-19-21(16)11-13-7-4-10-23-13/h1-7,10,14H,8-9,11H2
InChIKeyPPCPUNWBXITLJC-UHFFFAOYSA-N
XLogP2.21
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one (CID 56785103) is 3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one is O=C1C(Sc2nnnn2Cc2ccco2)CCN1c1ccccc1.
What is the InChIKey of 3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one?
The InChIKey is PPCPUNWBXITLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c22-15-14(8-9-20(15)12-5-2-1-3-6-12)24-16-17-18-19-21(16)11-13-7-4-10-23-13/h1-7,10,14H,8-9,11H2.
What are the key properties of 3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one?
3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one has a molecular weight of 341.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 56785103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).