1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole

C18H24N4O2S — CID 121190319

IUPAC1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CC(n3cc(C4CC4)nn3)C2)cc1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)14-6-8-16(9-7-14)25(23,24)21-10-15(11-21)22-12-17(19-20-22)13-4-5-13/h6-9,12-13,15H,4-5,10-11H2,1-3H3
InChIKeyPQDLSIYLAGNRSR-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.70
Rot. Bonds4

About 1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole

1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole (PubChem CID 121190319) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole.

Molecular Properties

Compound Name1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole
PubChem CID121190319
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CC(n3cc(C4CC4)nn3)C2)cc1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)14-6-8-16(9-7-14)25(23,24)21-10-15(11-21)22-12-17(19-20-22)13-4-5-13/h6-9,12-13,15H,4-5,10-11H2,1-3H3
InChIKeyPQDLSIYLAGNRSR-UHFFFAOYSA-N
XLogP2.70
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]triazole
CID 121190330
4-cyclopropyl-1-[1-(2-methylpropylsulfonyl)azetidin-3-yl]triazole
CID 121190273
4-cyclopropyl-1-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121190782
4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 121021163
(4-tert-butylphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190591
4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole
CID 121190734
(1S,5R)-3-(4-tert-butylphenyl)sulfonyl-8-cyclopentyl-3,8-diazabicyclo[3.2.1]octane
CID 46880554
3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121190795
1-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-4-cyclopropyltriazole
CID 121021159
4-cyclopropyl-1-[(3R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892518
3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
CID 122279803
1-[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-4-cyclopropyltriazole
CID 121021160

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole?
The IUPAC name of 1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole (CID 121190319) is 1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole.
What is the SMILES notation for 1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole?
The canonical SMILES for 1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole is CC(C)(C)c1ccc(S(=O)(=O)N2CC(n3cc(C4CC4)nn3)C2)cc1.
What is the InChIKey of 1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole?
The InChIKey is PQDLSIYLAGNRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-18(2,3)14-6-8-16(9-7-14)25(23,24)21-10-15(11-21)22-12-17(19-20-22)13-4-5-13/h6-9,12-13,15H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole?
1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole has a molecular weight of 360.48 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole is sourced from PubChem (CID 121190319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).