2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide

C15H21FN2O2S — CID 51360644

IUPAC2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCCCC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2S/c16-14-6-4-13(5-7-14)10-18-11-15(12-21(18,19)20)17-8-2-1-3-9-17/h4-7,15H,1-3,8-12H2
InChIKeyMEOBJBGZTMYBFK-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.83
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide

2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360644) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID51360644
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCCCC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2S/c16-14-6-4-13(5-7-14)10-18-11-15(12-21(18,19)20)17-8-2-1-3-9-17/h4-7,15H,1-3,8-12H2
InChIKeyMEOBJBGZTMYBFK-UHFFFAOYSA-N
XLogP1.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide (CID 51360644) is 2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCCCC2)CN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is MEOBJBGZTMYBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-14-6-4-13(5-7-14)10-18-11-15(12-21(18,19)20)17-8-2-1-3-9-17/h4-7,15H,1-3,8-12H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 312.41 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).