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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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
1-(3-chlorophenyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2950397
1-{3-(morpholin-4-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}pyrrolidin-2-one
CID 659756
1-Morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 851331
1-[4-[(1-Cyclohexyltetrazol-5-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione
CID 1329086
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2087821
N-cyclohexyl-N-methyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 2999647
1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
CID 718065
7-[(1-Phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2415936
3-(1-Phenyl-1,2,3,4-tetraazol-5-ylthio)pentane-2,4-dione
CID 2746016

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).