4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole

C7H13N3O3S — CID 75386582

IUPAC4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole
SMILESCC(C)OCCS(=O)(=O)c1cn[nH]n1
InChIInChI=1S/C7H13N3O3S/c1-6(2)13-3-4-14(11,12)7-5-8-10-9-7/h5-6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyJEISRUZOFLVRRA-UHFFFAOYSA-N
MW219.27 g/mol
LogP0.00
Rot. Bonds5

About 4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole

4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole (PubChem CID 75386582) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole.

Molecular Properties

Compound Name4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole
PubChem CID75386582
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole
SMILESCC(C)OCCS(=O)(=O)c1cn[nH]n1
InChIInChI=1S/C7H13N3O3S/c1-6(2)13-3-4-14(11,12)7-5-8-10-9-7/h5-6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyJEISRUZOFLVRRA-UHFFFAOYSA-N
XLogP0.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole?
The IUPAC name of 4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole (CID 75386582) is 4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole.
What is the SMILES notation for 4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole?
The canonical SMILES for 4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole is CC(C)OCCS(=O)(=O)c1cn[nH]n1.
What is the InChIKey of 4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole?
The InChIKey is JEISRUZOFLVRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-6(2)13-3-4-14(11,12)7-5-8-10-9-7/h5-6H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole?
4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole has a molecular weight of 219.27 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyethylsulfonyl)-2H-triazole is sourced from PubChem (CID 75386582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).