4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium

C11H22N5S+ — CID 7140543

IUPAC4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
SMILESCCC(C)(C)n1nnnc1C[NH+]1CCSCC1
InChIInChI=1S/C11H21N5S/c1-4-11(2,3)16-10(12-13-14-16)9-15-5-7-17-8-6-15/h4-9H2,1-3H3/p+1
InChIKeyGVXFZZGUIQTHHV-UHFFFAOYSA-O
MW256.40 g/mol
LogP-0.05
Rot. Bonds4

About 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium

4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium (PubChem CID 7140543) has the molecular formula C11H22N5S+ and a molecular weight of 256.40 g/mol. Its IUPAC name is 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium.

Molecular Properties

Compound Name4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
PubChem CID7140543
Molecular FormulaC11H22N5S+
Molecular Weight256.40 g/mol
Exact Mass256.16
IUPAC Name4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
SMILESCCC(C)(C)n1nnnc1C[NH+]1CCSCC1
InChIInChI=1S/C11H21N5S/c1-4-11(2,3)16-10(12-13-14-16)9-15-5-7-17-8-6-15/h4-9H2,1-3H3/p+1
InChIKeyGVXFZZGUIQTHHV-UHFFFAOYSA-O
XLogP-0.05
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium 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 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium?
The IUPAC name of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium (CID 7140543) is 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium.
What is the SMILES notation for 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium?
The canonical SMILES for 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium is CCC(C)(C)n1nnnc1C[NH+]1CCSCC1.
What is the InChIKey of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium?
The InChIKey is GVXFZZGUIQTHHV-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21N5S/c1-4-11(2,3)16-10(12-13-14-16)9-15-5-7-17-8-6-15/h4-9H2,1-3H3/p+1.
What are the key properties of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium?
4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium has a molecular weight of 256.40 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]thiomorpholin-4-ium is sourced from PubChem (CID 7140543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).