N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide

C16H27N3O2S — CID 75477779

IUPACN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NC1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C16H27N3O2S/c1-3-4-5-13-22(20,21)18-15-9-11-19(12-10-15)16-8-6-7-14(2)17-16/h6-8,15,18H,3-5,9-13H2,1-2H3
InChIKeyMJXIWIWARUCNKB-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.47
Rot. Bonds7

About N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide

N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide (PubChem CID 75477779) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide
PubChem CID75477779
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC NameN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NC1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C16H27N3O2S/c1-3-4-5-13-22(20,21)18-15-9-11-19(12-10-15)16-8-6-7-14(2)17-16/h6-8,15,18H,3-5,9-13H2,1-2H3
InChIKeyMJXIWIWARUCNKB-UHFFFAOYSA-N
XLogP2.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.47
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-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide
CID 97306329
N-cyclopropylhexane-1-sulfonamide
CID 67119181
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]propane-1-sulfonamide
CID 133436623
ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67136421
2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butan-1-amine
CID 69036700
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
3,6-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrazin-2-amine
CID 133471381
N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563963
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222
1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313226
2-(azetidin-1-yl)-6-methylpyridine
CID 54182749

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide?
The IUPAC name of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide (CID 75477779) is N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide.
What is the SMILES notation for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide?
The canonical SMILES for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide is CCCCCS(=O)(=O)NC1CCN(c2cccc(C)n2)CC1.
What is the InChIKey of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide?
The InChIKey is MJXIWIWARUCNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-3-4-5-13-22(20,21)18-15-9-11-19(12-10-15)16-8-6-7-14(2)17-16/h6-8,15,18H,3-5,9-13H2,1-2H3.
What are the key properties of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide?
N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide has a molecular weight of 325.48 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pentane-1-sulfonamide is sourced from PubChem (CID 75477779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).