2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole

C15H18N2O3S2 — CID 110750417

IUPAC2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC1c1nccs1
InChIInChI=1S/C15H18N2O3S2/c1-11-5-6-13(20-2)14(10-11)22(18,19)17-8-3-4-12(17)15-16-7-9-21-15/h5-7,9-10,12H,3-4,8H2,1-2H3
InChIKeyIEQFCUBYFSJIEC-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.99
Rot. Bonds4

About 2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole

2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole (PubChem CID 110750417) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
PubChem CID110750417
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC1c1nccs1
InChIInChI=1S/C15H18N2O3S2/c1-11-5-6-13(20-2)14(10-11)22(18,19)17-8-3-4-12(17)15-16-7-9-21-15/h5-7,9-10,12H,3-4,8H2,1-2H3
InChIKeyIEQFCUBYFSJIEC-UHFFFAOYSA-N
XLogP2.99
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine
CID 164637277
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836293
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836295
2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
CID 110750424
4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 30747502
3-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 126809488
1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 110750444
2-(benzenesulfonylmethyl)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidine
CID 90585735
(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8799587
3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine
CID 122331622
4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 99844527
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole (CID 110750417) is 2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole is COc1ccc(C)cc1S(=O)(=O)N1CCCC1c1nccs1.
What is the InChIKey of 2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is IEQFCUBYFSJIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-11-5-6-13(20-2)14(10-11)22(18,19)17-8-3-4-12(17)15-16-7-9-21-15/h5-7,9-10,12H,3-4,8H2,1-2H3.
What are the key properties of 2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole?
2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 338.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 110750417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).