[4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium

C16H25N6OS+ — CID 9244152

IUPAC[4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)Cn1nnn(-c2c(C)cccc2C)c1=S
InChIInChI=1S/C16H24N6OS/c1-5-9-17-14(23)10-20(4)11-21-16(24)22(19-18-21)15-12(2)7-6-8-13(15)3/h6-8H,5,9-11H2,1-4H3,(H,17,23)/p+1
InChIKeyASGLUOFFEYYODH-UHFFFAOYSA-O
MW349.48 g/mol
LogP0.41
Rot. Bonds7

About [4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium

[4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium (PubChem CID 9244152) has the molecular formula C16H25N6OS+ and a molecular weight of 349.48 g/mol. Its IUPAC name is [4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium.

Molecular Properties

Compound Name[4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium
PubChem CID9244152
Molecular FormulaC16H25N6OS+
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name[4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)Cn1nnn(-c2c(C)cccc2C)c1=S
InChIInChI=1S/C16H24N6OS/c1-5-9-17-14(23)10-20(4)11-21-16(24)22(19-18-21)15-12(2)7-6-8-13(15)3/h6-8H,5,9-11H2,1-4H3,(H,17,23)/p+1
InChIKeyASGLUOFFEYYODH-UHFFFAOYSA-O
XLogP0.41
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium with MolForge

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

Launch Full Analysis

Related Compounds

2-[[4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methylamino]-N-propylacetamide
CID 9244153
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
CID 7660892
methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium
CID 9302756
methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8791084
1-(2,6-dimethylphenyl)-4-(pyrrolidin-1-ylmethyl)tetrazole-5-thione
CID 9242418
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302794
N'-(2,6-dimethylphenyl)-N-propylbutanediamide
CID 71979821
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7660850
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9288101
methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8790316
[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 8789823
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The IUPAC name of [4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium (CID 9244152) is [4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium.
What is the SMILES notation for [4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The canonical SMILES for [4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium is CCCNC(=O)C[NH+](C)Cn1nnn(-c2c(C)cccc2C)c1=S.
What is the InChIKey of [4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The InChIKey is ASGLUOFFEYYODH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N6OS/c1-5-9-17-14(23)10-20(4)11-21-16(24)22(19-18-21)15-12(2)7-6-8-13(15)3/h6-8H,5,9-11H2,1-4H3,(H,17,23)/p+1.
What are the key properties of [4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
[4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium has a molecular weight of 349.48 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium is sourced from PubChem (CID 9244152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).