N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide

C16H24N2O4S — CID 95599233

IUPACN-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
SMILESCOCCCC(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H24N2O4S/c1-22-12-6-10-16(19)18-11-5-7-14(13-18)17-23(20,21)15-8-3-2-4-9-15/h2-4,8-9,14,17H,5-7,10-13H2,1H3/t14-/m0/s1
InChIKeyYEQZAVSQZODXMF-AWEZNQCLSA-N
MW340.44 g/mol
LogP1.38
Rot. Bonds7

About N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide

N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide (PubChem CID 95599233) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
PubChem CID95599233
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
SMILESCOCCCC(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H24N2O4S/c1-22-12-6-10-16(19)18-11-5-7-14(13-18)17-23(20,21)15-8-3-2-4-9-15/h2-4,8-9,14,17H,5-7,10-13H2,1H3/t14-/m0/s1
InChIKeyYEQZAVSQZODXMF-AWEZNQCLSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 56801932
N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide
CID 95331654
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride
CID 56802015
N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
CID 95310247
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 33163817
N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide
CID 97072958
N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide
CID 95296015
4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565478
4-(4-methoxyphenoxy)-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119487644
4-phenoxy-1-[3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 110638417
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108565354

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide (CID 95599233) is N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide is COCCCC(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide?
The InChIKey is YEQZAVSQZODXMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-12-6-10-16(19)18-11-5-7-14(13-18)17-23(20,21)15-8-3-2-4-9-15/h2-4,8-9,14,17H,5-7,10-13H2,1H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide?
N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95599233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).