(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide

C15H24N2O3S — CID 95721516

IUPAC(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1
InChIInChI=1S/C15H24N2O3S/c1-16(2)21(19,20)17-12-4-3-5-14(17)9-6-13-7-10-15(18)11-8-13/h7-8,10-11,14,18H,3-6,9,12H2,1-2H3/t14-/m1/s1
InChIKeyPIMWCGBZRVXWJN-CQSZACIVSA-N
MW312.43 g/mol
LogP1.99
Rot. Bonds5

About (2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide

(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 95721516) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is (2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID95721516
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1
InChIInChI=1S/C15H24N2O3S/c1-16(2)21(19,20)17-12-4-3-5-14(17)9-6-13-7-10-15(18)11-8-13/h7-8,10-11,14,18H,3-6,9,12H2,1-2H3/t14-/m1/s1
InChIKeyPIMWCGBZRVXWJN-CQSZACIVSA-N
XLogP1.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol
CID 95727588
4-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethyl]phenol
CID 95706787
N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide
CID 110103613
(2S)-N,N-dimethyl-2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidine-1-sulfonamide
CID 125021160
N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide
CID 84600963
2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate
CID 56913114
2-(3-hydroxypropyl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 62468298
(2R)-2-(3-methoxypropyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 164640382
(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine
CID 97130537
1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine
CID 142470254
N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide
CID 75448267
[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97139701

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 95721516) is (2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1.
What is the InChIKey of (2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is PIMWCGBZRVXWJN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-16(2)21(19,20)17-12-4-3-5-14(17)9-6-13-7-10-15(18)11-8-13/h7-8,10-11,14,18H,3-6,9,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide?
(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 95721516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).