ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate

C14H22N4O4S — CID 167948593

IUPACethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate
SMILESCCOC(=O)c1n[nH]nc1C1CCCN1S(=O)(=O)CCC1CC1
InChIInChI=1S/C14H22N4O4S/c1-2-22-14(19)13-12(15-17-16-13)11-4-3-8-18(11)23(20,21)9-7-10-5-6-10/h10-11H,2-9H2,1H3,(H,15,16,17)
InChIKeyAPBIQDKXONSVLC-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.25
Rot. Bonds7

About ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate

ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate (PubChem CID 167948593) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate
PubChem CID167948593
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Nameethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate
SMILESCCOC(=O)c1n[nH]nc1C1CCCN1S(=O)(=O)CCC1CC1
InChIInChI=1S/C14H22N4O4S/c1-2-22-14(19)13-12(15-17-16-13)11-4-3-8-18(11)23(20,21)9-7-10-5-6-10/h10-11H,2-9H2,1H3,(H,15,16,17)
InChIKeyAPBIQDKXONSVLC-UHFFFAOYSA-N
XLogP1.25
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-[1-(butylcarbamoyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate
CID 167899419
ethyl 5-[1-[2-(3,5-dimethylphenyl)acetyl]pyrrolidin-2-yl]-2H-triazole-4-carboxylate
CID 167926649
ethyl 5-cycloheptyl-2H-triazole-4-carboxylate
CID 165488917
ethyl 5-[1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]-2H-triazole-4-carboxylate
CID 166269521
ethyl 5-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate
CID 166301101
ethyl 5-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2H-triazole-4-carboxylate
CID 166269514
ethyl 5-[1-(6-oxaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate
CID 166269539
5-ethoxycarbonyl-2H-triazole-4-carboxylic acid
CID 12998518
5-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid
CID 58958688
4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine
CID 54885840
ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate
CID 60811787
ethyl 5-methyl-2-(1-methylsulfonylpiperidin-4-yl)-1H-imidazole-4-carboxylate
CID 138014077

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate?
The IUPAC name of ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate (CID 167948593) is ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate?
The canonical SMILES for ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate is CCOC(=O)c1n[nH]nc1C1CCCN1S(=O)(=O)CCC1CC1.
What is the InChIKey of ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate?
The InChIKey is APBIQDKXONSVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-2-22-14(19)13-12(15-17-16-13)11-4-3-8-18(11)23(20,21)9-7-10-5-6-10/h10-11H,2-9H2,1H3,(H,15,16,17).
What are the key properties of ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate?
ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(2-cyclopropylethylsulfonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate is sourced from PubChem (CID 167948593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).