N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide

C15H24N2O3S — CID 61236571

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCCc1ccc(O)cc1
InChIInChI=1S/C15H24N2O3S/c18-15-3-1-13(2-4-15)7-11-17-21(19,20)12-8-14-5-9-16-10-6-14/h1-4,14,16-18H,5-12H2
InChIKeyGSMDKCZZAMHSHA-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.24
Rot. Bonds7

About N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide

N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide (PubChem CID 61236571) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide
PubChem CID61236571
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCCc1ccc(O)cc1
InChIInChI=1S/C15H24N2O3S/c18-15-3-1-13(2-4-15)7-11-17-21(19,20)12-8-14-5-9-16-10-6-14/h1-4,14,16-18H,5-12H2
InChIKeyGSMDKCZZAMHSHA-UHFFFAOYSA-N
XLogP1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide (CID 61236571) is N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide is O=S(=O)(CCC1CCNCC1)NCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide?
The InChIKey is GSMDKCZZAMHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c18-15-3-1-13(2-4-15)7-11-17-21(19,20)12-8-14-5-9-16-10-6-14/h1-4,14,16-18H,5-12H2.
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 61236571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).