1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole

C7H12N4O3S — CID 102579884

IUPAC1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole
SMILESCn1nnnc1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H12N4O3S/c1-11-7(8-9-10-11)15(12,13)5-6-3-2-4-14-6/h6H,2-5H2,1H3
InChIKeyGBVFDJYSWGULJM-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.84
Rot. Bonds3

About 1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole

1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole (PubChem CID 102579884) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole.

Molecular Properties

Compound Name1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole
PubChem CID102579884
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC Name1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole
SMILESCn1nnnc1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H12N4O3S/c1-11-7(8-9-10-11)15(12,13)5-6-3-2-4-14-6/h6H,2-5H2,1H3
InChIKeyGBVFDJYSWGULJM-UHFFFAOYSA-N
XLogP-0.84
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole?
The IUPAC name of 1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole (CID 102579884) is 1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole.
What is the SMILES notation for 1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole?
The canonical SMILES for 1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole is Cn1nnnc1S(=O)(=O)CC1CCCO1.
What is the InChIKey of 1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole?
The InChIKey is GBVFDJYSWGULJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c1-11-7(8-9-10-11)15(12,13)5-6-3-2-4-14-6/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole?
1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole has a molecular weight of 232.26 g/mol, XLogP of -0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(oxolan-2-ylmethylsulfonyl)tetrazole is sourced from PubChem (CID 102579884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).