(2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone

C15H17N3O2S2 — CID 131702264

IUPAC(2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone
SMILESCCSc1ccccc1C(=O)N1CCC(Oc2cnsn2)C1
InChIInChI=1S/C15H17N3O2S2/c1-2-21-13-6-4-3-5-12(13)15(19)18-8-7-11(10-18)20-14-9-16-22-17-14/h3-6,9,11H,2,7-8,10H2,1H3
InChIKeyIKJNXRCEYRPYFB-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.94
Rot. Bonds5

About (2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone

(2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone (PubChem CID 131702264) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone
PubChem CID131702264
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name(2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone
SMILESCCSc1ccccc1C(=O)N1CCC(Oc2cnsn2)C1
InChIInChI=1S/C15H17N3O2S2/c1-2-21-13-6-4-3-5-12(13)15(19)18-8-7-11(10-18)20-14-9-16-22-17-14/h3-6,9,11H,2,7-8,10H2,1H3
InChIKeyIKJNXRCEYRPYFB-UHFFFAOYSA-N
XLogP2.94
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558763
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 122259400
4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one
CID 126855456
(2-ethylsulfanylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247611
[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 131702270
(2-ethylsulfanylphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178535
(2-methylsulfanylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638321
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 129355591
2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone
CID 126853870
(2-ethylsulfanylphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786986
(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
(2-ethylsulfanylphenyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250908

Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone (CID 131702264) is (2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone is CCSc1ccccc1C(=O)N1CCC(Oc2cnsn2)C1.
What is the InChIKey of (2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone?
The InChIKey is IKJNXRCEYRPYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-2-21-13-6-4-3-5-12(13)15(19)18-8-7-11(10-18)20-14-9-16-22-17-14/h3-6,9,11H,2,7-8,10H2,1H3.
What are the key properties of (2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone?
(2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone has a molecular weight of 335.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 131702264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).