1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one

C14H15N5O3S — CID 2633150

IUPAC1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
SMILESCOc1ccc(-n2nnnc2SCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H15N5O3S/c1-22-11-6-4-10(5-7-11)19-14(15-16-17-19)23-9-13(21)18-8-2-3-12(18)20/h4-7H,2-3,8-9H2,1H3
InChIKeyWSVPUFJOLNKCRX-UHFFFAOYSA-N
MW333.37 g/mol
LogP0.91
Rot. Bonds5

About 1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one

1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one (PubChem CID 2633150) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
PubChem CID2633150
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC Name1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
SMILESCOc1ccc(-n2nnnc2SCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H15N5O3S/c1-22-11-6-4-10(5-7-11)19-14(15-16-17-19)23-9-13(21)18-8-2-3-12(18)20/h4-7H,2-3,8-9H2,1H3
InChIKeyWSVPUFJOLNKCRX-UHFFFAOYSA-N
XLogP0.91
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one (CID 2633150) is 1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one is COc1ccc(-n2nnnc2SCC(=O)N2CCCC2=O)cc1.
What is the InChIKey of 1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
The InChIKey is WSVPUFJOLNKCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c1-22-11-6-4-10(5-7-11)19-14(15-16-17-19)23-9-13(21)18-8-2-3-12(18)20/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one has a molecular weight of 333.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one is sourced from PubChem (CID 2633150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).