2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole

C12H18N6O2S — CID 121178903

IUPAC2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(n3nccn3)C2)c1
InChIInChI=1S/C12H18N6O2S/c1-10(2)16-8-12(13-9-16)21(19,20)17-6-3-11(7-17)18-14-4-5-15-18/h4-5,8-11H,3,6-7H2,1-2H3
InChIKeyHAMPVRHBXAXKNV-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.69
Rot. Bonds4

About 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole

2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole (PubChem CID 121178903) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole.

Molecular Properties

Compound Name2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole
PubChem CID121178903
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(n3nccn3)C2)c1
InChIInChI=1S/C12H18N6O2S/c1-10(2)16-8-12(13-9-16)21(19,20)17-6-3-11(7-17)18-14-4-5-15-18/h4-5,8-11H,3,6-7H2,1-2H3
InChIKeyHAMPVRHBXAXKNV-UHFFFAOYSA-N
XLogP0.69
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione
CID 119105849
4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 124590329
1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 109379638
4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole
CID 126901276
3-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159679
2-methyl-3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129329420
3-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100625200
(3aR,7aS)-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99990220
(3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073466
1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine
CID 126892901
(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53007812
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122161105

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole?
The IUPAC name of 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole (CID 121178903) is 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole.
What is the SMILES notation for 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole?
The canonical SMILES for 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole is CC(C)n1cnc(S(=O)(=O)N2CCC(n3nccn3)C2)c1.
What is the InChIKey of 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole?
The InChIKey is HAMPVRHBXAXKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-10(2)16-8-12(13-9-16)21(19,20)17-6-3-11(7-17)18-14-4-5-15-18/h4-5,8-11H,3,6-7H2,1-2H3.
What are the key properties of 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole?
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole has a molecular weight of 310.38 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole is sourced from PubChem (CID 121178903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).