4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide

C14H22N2O4S — CID 80702716

IUPAC4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide
SMILESCC1(O)CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C14H22N2O4S/c1-14(17)6-8-16(9-7-14)10-11-20-12-2-4-13(5-3-12)21(15,18)19/h2-5,17H,6-11H2,1H3,(H2,15,18,19)
InChIKeyIPXJULTUMAXOPI-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.56
Rot. Bonds5

About 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide

4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide (PubChem CID 80702716) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide
PubChem CID80702716
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide
SMILESCC1(O)CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C14H22N2O4S/c1-14(17)6-8-16(9-7-14)10-11-20-12-2-4-13(5-3-12)21(15,18)19/h2-5,17H,6-11H2,1H3,(H2,15,18,19)
InChIKeyIPXJULTUMAXOPI-UHFFFAOYSA-N
XLogP0.56
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 81096927
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide
CID 119927841
1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
CID 107407990
4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34933504
tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate
CID 46594465
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070
1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol
CID 81098070
4-[2-(4-hydroxy-4-methylazepan-1-yl)ethoxy]benzonitrile
CID 107404531
4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
CID 61295573
4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 63264028
4-[[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]methyl]benzenesulfonamide
CID 177234136

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide (CID 80702716) is 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide is CC1(O)CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide?
The InChIKey is IPXJULTUMAXOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(17)6-8-16(9-7-14)10-11-20-12-2-4-13(5-3-12)21(15,18)19/h2-5,17H,6-11H2,1H3,(H2,15,18,19).
What are the key properties of 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide?
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 80702716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).