4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide

C15H18N2O2S — CID 6623889

IUPAC4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCCC1
InChIInChI=1S/C15H18N2O2S/c1-11-5-7-13(8-6-11)14-12(2)15(16-20(14,18)19)17-9-3-4-10-17/h5-8H,3-4,9-10H2,1-2H3
InChIKeyYMQLADMXSOXYQP-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.56
Rot. Bonds1

About 4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide

4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide (PubChem CID 6623889) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
PubChem CID6623889
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCCC1
InChIInChI=1S/C15H18N2O2S/c1-11-5-7-13(8-6-11)14-12(2)15(16-20(14,18)19)17-9-3-4-10-17/h5-8H,3-4,9-10H2,1-2H3
InChIKeyYMQLADMXSOXYQP-UHFFFAOYSA-N
XLogP2.56
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide?
The IUPAC name of 4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide (CID 6623889) is 4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide is CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCCC1.
What is the InChIKey of 4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide?
The InChIKey is YMQLADMXSOXYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-5-7-13(8-6-11)14-12(2)15(16-20(14,18)19)17-9-3-4-10-17/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide?
4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide has a molecular weight of 290.39 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-methylphenyl)-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 6623889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).