4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide

C14H16N2O2S — CID 22512598

IUPAC4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccccc2)S(=O)(=O)N=C1N1CCCC1
InChIInChI=1S/C14H16N2O2S/c1-11-13(12-7-3-2-4-8-12)19(17,18)15-14(11)16-9-5-6-10-16/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeySBCLVFYATBRIFA-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.26
Rot. Bonds1

About 4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide

4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide (PubChem CID 22512598) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
PubChem CID22512598
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
SMILESCC1=C(c2ccccc2)S(=O)(=O)N=C1N1CCCC1
InChIInChI=1S/C14H16N2O2S/c1-11-13(12-7-3-2-4-8-12)19(17,18)15-14(11)16-9-5-6-10-16/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeySBCLVFYATBRIFA-UHFFFAOYSA-N
XLogP2.26
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide?
The IUPAC name of 4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide (CID 22512598) is 4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide is CC1=C(c2ccccc2)S(=O)(=O)N=C1N1CCCC1.
What is the InChIKey of 4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide?
The InChIKey is SBCLVFYATBRIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-13(12-7-3-2-4-8-12)19(17,18)15-14(11)16-9-5-6-10-16/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of 4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide?
4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide has a molecular weight of 276.36 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 22512598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).