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

C14H17N5O4S — CID 1267552

IUPAC2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone
SMILESCS(=O)(=O)c1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C14H17N5O4S/c1-24(21,22)12-4-2-11(3-5-12)14-15-17-19(16-14)10-13(20)18-6-8-23-9-7-18/h2-5H,6-10H2,1H3
InChIKeyZZLGFELYTCKQDM-UHFFFAOYSA-N
MW351.39 g/mol
LogP-0.40
Rot. Bonds4

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

2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone (PubChem CID 1267552) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone
PubChem CID1267552
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC Name2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone
SMILESCS(=O)(=O)c1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C14H17N5O4S/c1-24(21,22)12-4-2-11(3-5-12)14-15-17-19(16-14)10-13(20)18-6-8-23-9-7-18/h2-5H,6-10H2,1H3
InChIKeyZZLGFELYTCKQDM-UHFFFAOYSA-N
XLogP-0.40
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone (CID 1267552) is 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone is CS(=O)(=O)c1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is ZZLGFELYTCKQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c1-24(21,22)12-4-2-11(3-5-12)14-15-17-19(16-14)10-13(20)18-6-8-23-9-7-18/h2-5H,6-10H2,1H3.
What are the key properties of 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone?
2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 351.39 g/mol, XLogP of -0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 1267552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).