1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide

C19H30N2O3S — CID 133254995

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
SMILESCCCCCNC(=O)C1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C19H30N2O3S/c1-4-5-6-11-20-19(22)17-8-7-12-21(14-17)25(23,24)18-13-15(2)9-10-16(18)3/h9-10,13,17H,4-8,11-12,14H2,1-3H3,(H,20,22)
InChIKeyWPUCVGBMUNOWMU-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.01
Rot. Bonds7

About 1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide

1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide (PubChem CID 133254995) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
PubChem CID133254995
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
SMILESCCCCCNC(=O)C1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C19H30N2O3S/c1-4-5-6-11-20-19(22)17-8-7-12-21(14-17)25(23,24)18-13-15(2)9-10-16(18)3/h9-10,13,17H,4-8,11-12,14H2,1-3H3,(H,20,22)
InChIKeyWPUCVGBMUNOWMU-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 94381355
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 94764138
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 133254996
(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779953
(3S)-N-(4-butylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780257
(3R)-N-[(2S)-butan-2-yl]-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779925
1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 133254889
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 100779917
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971282
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 100780184

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide (CID 133254995) is 1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide is CCCCCNC(=O)C1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide?
The InChIKey is WPUCVGBMUNOWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-4-5-6-11-20-19(22)17-8-7-12-21(14-17)25(23,24)18-13-15(2)9-10-16(18)3/h9-10,13,17H,4-8,11-12,14H2,1-3H3,(H,20,22).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide is sourced from PubChem (CID 133254995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).