4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one

C14H16N2O3S2 — CID 62131249

IUPAC4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H16N2O3S2/c1-10-13(20-14(17)15-10)21(18,19)16-8-7-12(9-16)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,17)
InChIKeyJQZNGBMPNWZLHR-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.92
Rot. Bonds3

About 4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one

4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one (PubChem CID 62131249) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
PubChem CID62131249
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H16N2O3S2/c1-10-13(20-14(17)15-10)21(18,19)16-8-7-12(9-16)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,17)
InChIKeyJQZNGBMPNWZLHR-UHFFFAOYSA-N
XLogP1.92
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one (CID 62131249) is 4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of 4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
The InChIKey is JQZNGBMPNWZLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-10-13(20-14(17)15-10)21(18,19)16-8-7-12(9-16)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,17).
What are the key properties of 4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one?
4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one has a molecular weight of 324.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 62131249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).