1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one

C13H13N5O2S — CID 2555772

IUPAC1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C13H13N5O2S/c19-11-7-4-8-17(11)12(20)9-21-13-14-15-16-18(13)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyWISDEHNLINSFFO-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.90
Rot. Bonds4

About 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one

1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one (PubChem CID 2555772) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
PubChem CID2555772
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C13H13N5O2S/c19-11-7-4-8-17(11)12(20)9-21-13-14-15-16-18(13)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyWISDEHNLINSFFO-UHFFFAOYSA-N
XLogP0.90
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one (CID 2555772) is 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one is O=C1CCCN1C(=O)CSc1nnnn1-c1ccccc1.
What is the InChIKey of 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one?
The InChIKey is WISDEHNLINSFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c19-11-7-4-8-17(11)12(20)9-21-13-14-15-16-18(13)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2.
What are the key properties of 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one?
1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one has a molecular weight of 303.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one is sourced from PubChem (CID 2555772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).