N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide

C14H22N2O3S — CID 61146535

IUPACN-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1N1CCC(CO)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-15-20(18,19)14-6-4-3-5-13(14)16-9-7-12(11-17)8-10-16/h3-6,12,15,17H,2,7-11H2,1H3
InChIKeyJIWLEJADTDGTGN-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.19
Rot. Bonds5

About N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide

N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide (PubChem CID 61146535) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide
PubChem CID61146535
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1N1CCC(CO)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-15-20(18,19)14-6-4-3-5-13(14)16-9-7-12(11-17)8-10-16/h3-6,12,15,17H,2,7-11H2,1H3
InChIKeyJIWLEJADTDGTGN-UHFFFAOYSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide
CID 63760577
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide
CID 102986774
[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
CID 56796829
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 115300944
N-ethyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine
CID 60807769
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 62063614
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-ethylbenzenesulfonamide
CID 102683641
1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid
CID 166258902
4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine
CID 133363037

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide (CID 61146535) is N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide is CCNS(=O)(=O)c1ccccc1N1CCC(CO)CC1.
What is the InChIKey of N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide?
The InChIKey is JIWLEJADTDGTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-15-20(18,19)14-6-4-3-5-13(14)16-9-7-12(11-17)8-10-16/h3-6,12,15,17H,2,7-11H2,1H3.
What are the key properties of N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide?
N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 61146535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).