4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole

C11H18N4O2S — CID 121190734

IUPAC4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole
SMILESCCS(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C11H18N4O2S/c1-2-18(16,17)14-6-5-10(7-14)15-8-11(12-13-15)9-3-4-9/h8-10H,2-7H2,1H3
InChIKeyTVFNAQDPSCJNTK-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.75
Rot. Bonds4

About 4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole

4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole (PubChem CID 121190734) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole.

Molecular Properties

Compound Name4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole
PubChem CID121190734
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole
SMILESCCS(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C11H18N4O2S/c1-2-18(16,17)14-6-5-10(7-14)15-8-11(12-13-15)9-3-4-9/h8-10H,2-7H2,1H3
InChIKeyTVFNAQDPSCJNTK-UHFFFAOYSA-N
XLogP0.75
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121190795
4-cyclopropyl-1-[1-[(4-methylphenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
CID 121190836
4-cyclopropyl-1-[1-(2-methylpropylsulfonyl)azetidin-3-yl]triazole
CID 121190273
4-cyclopropyl-1-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121190765
4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892518
1-[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-4-cyclopropyltriazole
CID 121021160
4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124725171
4-cyclopropyl-1-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121190782
4-cyclopropyl-1-[1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121190809
[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 124892507
4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 121021163
4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole
CID 121190381

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole?
The IUPAC name of 4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole (CID 121190734) is 4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole.
What is the SMILES notation for 4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole?
The canonical SMILES for 4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole is CCS(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole?
The InChIKey is TVFNAQDPSCJNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-18(16,17)14-6-5-10(7-14)15-8-11(12-13-15)9-3-4-9/h8-10H,2-7H2,1H3.
What are the key properties of 4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole?
4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole has a molecular weight of 270.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole is sourced from PubChem (CID 121190734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).