3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide

C14H23N3O2S — CID 79452321

IUPAC3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
SMILESCCn1nc(C)cc1CC1(C2CCS(=O)(=O)C2)CNC1
InChIInChI=1S/C14H23N3O2S/c1-3-17-13(6-11(2)16-17)7-14(9-15-10-14)12-4-5-20(18,19)8-12/h6,12,15H,3-5,7-10H2,1-2H3
InChIKeyBIYPEEXOOPBHEG-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.78
Rot. Bonds4

About 3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide

3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide (PubChem CID 79452321) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
PubChem CID79452321
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
SMILESCCn1nc(C)cc1CC1(C2CCS(=O)(=O)C2)CNC1
InChIInChI=1S/C14H23N3O2S/c1-3-17-13(6-11(2)16-17)7-14(9-15-10-14)12-4-5-20(18,19)8-12/h6,12,15H,3-5,7-10H2,1-2H3
InChIKeyBIYPEEXOOPBHEG-UHFFFAOYSA-N
XLogP0.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide with MolForge

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Related Compounds

3-[3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79452118
1-(1,1-dioxothiolan-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 113289702
3-[3-[(4-chlorophenyl)methyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 79451612
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine
CID 115337795
3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide
CID 79451711
N-[1-(1,1-dioxothiolan-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 115337039
3-[3-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 103019129
3-[3-(ethoxymethyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 103985370
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 66058384
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 66058530
5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-1-ethyl-3-methylpyrazole
CID 66049499
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol
CID 103564494

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide (CID 79452321) is 3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide is CCn1nc(C)cc1CC1(C2CCS(=O)(=O)C2)CNC1.
What is the InChIKey of 3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide?
The InChIKey is BIYPEEXOOPBHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-17-13(6-11(2)16-17)7-14(9-15-10-14)12-4-5-20(18,19)8-12/h6,12,15H,3-5,7-10H2,1-2H3.
What are the key properties of 3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide?
3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide has a molecular weight of 297.42 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]azetidin-3-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 79452321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).