N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide

C15H25N5OS — CID 36795172

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)Cn1nnnc1SCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H25N5OS/c1-12(2)10-20-15(17-18-19-20)22-11-14(21)16-9-8-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H,16,21)
InChIKeySKUZCQWRQNUBMC-UHFFFAOYSA-N
MW323.47 g/mol
LogP2.43
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 36795172) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID36795172
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)Cn1nnnc1SCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H25N5OS/c1-12(2)10-20-15(17-18-19-20)22-11-14(21)16-9-8-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H,16,21)
InChIKeySKUZCQWRQNUBMC-UHFFFAOYSA-N
XLogP2.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8797717
N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-(2-methylpropyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide
CID 3228342
N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36795278
N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16518613
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 7757118
N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2478994
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7674000
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide
CID 9329985
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
CID 108993945
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2468860
2-(2-amino-5-methylphenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 79128805
N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42092226

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide (CID 36795172) is N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide is CC(C)Cn1nnnc1SCC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is SKUZCQWRQNUBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-12(2)10-20-15(17-18-19-20)22-11-14(21)16-9-8-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H,16,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 323.47 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 36795172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).