1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole

C11H14N4O2S2 — CID 47124187

IUPAC1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole
SMILESCS(=O)(=O)CCSc1nnnn1Cc1ccccc1
InChIInChI=1S/C11H14N4O2S2/c1-19(16,17)8-7-18-11-12-13-14-15(11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyRMQLFWUZUBQSFN-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.86
Rot. Bonds6

About 1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole

1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole (PubChem CID 47124187) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole
PubChem CID47124187
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole
SMILESCS(=O)(=O)CCSc1nnnn1Cc1ccccc1
InChIInChI=1S/C11H14N4O2S2/c1-19(16,17)8-7-18-11-12-13-14-15(11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyRMQLFWUZUBQSFN-UHFFFAOYSA-N
XLogP0.86
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
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CID 47096811
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
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N-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylethyl]methanesulfonamide
CID 56803433
4-benzyl-3-(2,4-dichlorophenyl)-5-(2-methylsulfonylethylsulfanyl)-1,2,4-triazole
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2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide
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1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole
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2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole?
The IUPAC name of 1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole (CID 47124187) is 1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole.
What is the SMILES notation for 1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole?
The canonical SMILES for 1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole is CS(=O)(=O)CCSc1nnnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole?
The InChIKey is RMQLFWUZUBQSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-19(16,17)8-7-18-11-12-13-14-15(11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole?
1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole has a molecular weight of 298.39 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole is sourced from PubChem (CID 47124187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).