2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone

C14H17N5O3S — CID 859708

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H17N5O3S/c1-21-12-4-2-11(3-5-12)19-14(15-16-17-19)23-10-13(20)18-6-8-22-9-7-18/h2-5H,6-10H2,1H3
InChIKeyJLYSUVHRBXENGJ-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.62
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 859708) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID859708
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H17N5O3S/c1-21-12-4-2-11(3-5-12)19-14(15-16-17-19)23-10-13(20)18-6-8-22-9-7-18/h2-5H,6-10H2,1H3
InChIKeyJLYSUVHRBXENGJ-UHFFFAOYSA-N
XLogP0.62
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone (CID 859708) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone is COc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is JLYSUVHRBXENGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-21-12-4-2-11(3-5-12)19-14(15-16-17-19)23-10-13(20)18-6-8-22-9-7-18/h2-5H,6-10H2,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone?
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 335.39 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 859708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).