1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C17H25NO4S — CID 156684459

IUPAC1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(CS(=O)(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C17H25NO4S/c1-17(2,3)16(20)18-10-8-13(9-11-18)12-23(21,22)15-6-4-14(19)5-7-15/h4-7,13,19H,8-12H2,1-3H3
InChIKeyVQOPVVFTNCRXLM-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.45
Rot. Bonds3

About 1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 156684459) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID156684459
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(CS(=O)(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C17H25NO4S/c1-17(2,3)16(20)18-10-8-13(9-11-18)12-23(21,22)15-6-4-14(19)5-7-15/h4-7,13,19H,8-12H2,1-3H3
InChIKeyVQOPVVFTNCRXLM-UHFFFAOYSA-N
XLogP2.45
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one 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 1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 156684459) is 1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(CS(=O)(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is VQOPVVFTNCRXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-17(2,3)16(20)18-10-8-13(9-11-18)12-23(21,22)15-6-4-14(19)5-7-15/h4-7,13,19H,8-12H2,1-3H3.
What are the key properties of 1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 339.46 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-hydroxyphenyl)sulfonylmethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 156684459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).