N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide

C15H22N2O4S — CID 95331654

IUPACN-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide
SMILESCCOCC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O4S/c1-2-21-12-15(18)17-10-6-7-13(11-17)16-22(19,20)14-8-4-3-5-9-14/h3-5,8-9,13,16H,2,6-7,10-12H2,1H3/t13-/m1/s1
InChIKeyXFAKPKHGDGNSDB-CYBMUJFWSA-N
MW326.42 g/mol
LogP0.99
Rot. Bonds6

About N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide

N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide (PubChem CID 95331654) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide
PubChem CID95331654
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide
SMILESCCOCC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H22N2O4S/c1-2-21-12-15(18)17-10-6-7-13(11-17)16-22(19,20)14-8-4-3-5-9-14/h3-5,8-9,13,16H,2,6-7,10-12H2,1H3/t13-/m1/s1
InChIKeyXFAKPKHGDGNSDB-CYBMUJFWSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 56801932
N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 95599233
N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
CID 95310247
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide
CID 95296015
ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
CID 162749983
N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide
CID 95297567
3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride
CID 56802015
N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348
N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 33162002
tert-butyl (3R)-3-[[3-(bromomethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 97171763
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone
CID 97343625

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide (CID 95331654) is N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide is CCOCC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide?
The InChIKey is XFAKPKHGDGNSDB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-21-12-15(18)17-10-6-7-13(11-17)16-22(19,20)14-8-4-3-5-9-14/h3-5,8-9,13,16H,2,6-7,10-12H2,1H3/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide?
N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95331654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).