1-propan-2-ylsulfonyltriazole

C5H9N3O2S — CID 175856255

IUPAC1-propan-2-ylsulfonyltriazole
SMILESCC(C)S(=O)(=O)n1ccnn1
InChIInChI=1S/C5H9N3O2S/c1-5(2)11(9,10)8-4-3-6-7-8/h3-5H,1-2H3
InChIKeyPGGHUGYCPRTEEN-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.14
Rot. Bonds2

About 1-propan-2-ylsulfonyltriazole

1-propan-2-ylsulfonyltriazole (PubChem CID 175856255) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is 1-propan-2-ylsulfonyltriazole.

Molecular Properties

Compound Name1-propan-2-ylsulfonyltriazole
PubChem CID175856255
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name1-propan-2-ylsulfonyltriazole
SMILESCC(C)S(=O)(=O)n1ccnn1
InChIInChI=1S/C5H9N3O2S/c1-5(2)11(9,10)8-4-3-6-7-8/h3-5H,1-2H3
InChIKeyPGGHUGYCPRTEEN-UHFFFAOYSA-N
XLogP-0.14
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

triazole-1-sulfonamide
CID 22401447
1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole
CID 19818805
1-[2-(2,2-dimethylpropylsulfonyl)ethyl]triazole
CID 167540335
1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine
CID 121151394
fluoroform;1-methyltriazole
CID 174723397
(2R)-1-(triazol-1-yl)propan-2-amine
CID 59543908
N-propan-2-ylpropan-2-amine;triazol-1-amine
CID 23203283
[2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol
CID 172876876
silver 1-sulfanyltriazole
CID 22237742
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 47371249
1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine
CID 121165139

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonyltriazole?
The IUPAC name of 1-propan-2-ylsulfonyltriazole (CID 175856255) is 1-propan-2-ylsulfonyltriazole.
What is the SMILES notation for 1-propan-2-ylsulfonyltriazole?
The canonical SMILES for 1-propan-2-ylsulfonyltriazole is CC(C)S(=O)(=O)n1ccnn1.
What is the InChIKey of 1-propan-2-ylsulfonyltriazole?
The InChIKey is PGGHUGYCPRTEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-5(2)11(9,10)8-4-3-6-7-8/h3-5H,1-2H3.
What are the key properties of 1-propan-2-ylsulfonyltriazole?
1-propan-2-ylsulfonyltriazole has a molecular weight of 175.21 g/mol, XLogP of -0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonyltriazole is sourced from PubChem (CID 175856255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).