cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate

C17H22N4O2S — CID 858448

IUPACcyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
SMILESCc1ccc(-n2nnnc2SCC(=O)OC2CCCCC2)c(C)c1
InChIInChI=1S/C17H22N4O2S/c1-12-8-9-15(13(2)10-12)21-17(18-19-20-21)24-11-16(22)23-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3
InChIKeyHLGOLPSOMJTKOB-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.25
Rot. Bonds5

About cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate

cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate (PubChem CID 858448) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate.

Molecular Properties

Compound Namecyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
PubChem CID858448
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Namecyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
SMILESCc1ccc(-n2nnnc2SCC(=O)OC2CCCCC2)c(C)c1
InChIInChI=1S/C17H22N4O2S/c1-12-8-9-15(13(2)10-12)21-17(18-19-20-21)24-11-16(22)23-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3
InChIKeyHLGOLPSOMJTKOB-UHFFFAOYSA-N
XLogP3.25
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate 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

N-cycloheptyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5023193
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 78754864
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
CID 11899218
butyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
CID 84602659
1-(3,4-dimethoxyphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2485459
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7225097
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
CID 7566943
2-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylacetamide
CID 8691768
1-(3-bromophenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7674908
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
CID 7566975
4-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931313
1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole
CID 4811763

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate?
The IUPAC name of cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate (CID 858448) is cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate.
What is the SMILES notation for cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate?
The canonical SMILES for cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate is Cc1ccc(-n2nnnc2SCC(=O)OC2CCCCC2)c(C)c1.
What is the InChIKey of cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate?
The InChIKey is HLGOLPSOMJTKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12-8-9-15(13(2)10-12)21-17(18-19-20-21)24-11-16(22)23-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3.
What are the key properties of cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate?
cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate has a molecular weight of 346.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetate is sourced from PubChem (CID 858448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).