1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol

C17H26N2O4S — CID 136546204

IUPAC1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol
SMILESCC1CC(Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)C(C)O1
InChIInChI=1S/C17H26N2O4S/c1-12-10-17(13(2)23-12)18-14-4-3-5-16(11-14)24(21,22)19-8-6-15(20)7-9-19/h3-5,11-13,15,17-18,20H,6-10H2,1-2H3
InChIKeyGJCWUNGNKPUKFE-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.81
Rot. Bonds4

About 1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol

1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol (PubChem CID 136546204) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol
PubChem CID136546204
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol
SMILESCC1CC(Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)C(C)O1
InChIInChI=1S/C17H26N2O4S/c1-12-10-17(13(2)23-12)18-14-4-3-5-16(11-14)24(21,22)19-8-6-15(20)7-9-19/h3-5,11-13,15,17-18,20H,6-10H2,1-2H3
InChIKeyGJCWUNGNKPUKFE-UHFFFAOYSA-N
XLogP1.81
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol?
The IUPAC name of 1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol (CID 136546204) is 1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol is CC1CC(Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)C(C)O1.
What is the InChIKey of 1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol?
The InChIKey is GJCWUNGNKPUKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-12-10-17(13(2)23-12)18-14-4-3-5-16(11-14)24(21,22)19-8-6-15(20)7-9-19/h3-5,11-13,15,17-18,20H,6-10H2,1-2H3.
What are the key properties of 1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol?
1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol has a molecular weight of 354.47 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-dimethyloxolan-3-yl)amino]phenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 136546204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).