N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide

C16H24BrN3O3S — CID 56549938

IUPACN-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide
SMILESCC(C)CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C16H24BrN3O3S/c1-12(2)7-10-24(22,23)20-8-5-13(6-9-20)16(21)19-15-4-3-14(17)11-18-15/h3-4,11-13H,5-10H2,1-2H3,(H,18,19,21)
InChIKeySZCJUJNPILSISG-UHFFFAOYSA-N
MW418.36 g/mol
LogP2.87
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide (PubChem CID 56549938) has the molecular formula C16H24BrN3O3S and a molecular weight of 418.36 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide
PubChem CID56549938
Molecular FormulaC16H24BrN3O3S
Molecular Weight418.36 g/mol
Exact Mass417.07
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide
SMILESCC(C)CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C16H24BrN3O3S/c1-12(2)7-10-24(22,23)20-8-5-13(6-9-20)16(21)19-15-4-3-14(17)11-18-15/h3-4,11-13H,5-10H2,1-2H3,(H,18,19,21)
InChIKeySZCJUJNPILSISG-UHFFFAOYSA-N
XLogP2.87
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide (CID 56549938) is N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide is CC(C)CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide?
The InChIKey is SZCJUJNPILSISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O3S/c1-12(2)7-10-24(22,23)20-8-5-13(6-9-20)16(21)19-15-4-3-14(17)11-18-15/h3-4,11-13H,5-10H2,1-2H3,(H,18,19,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide has a molecular weight of 418.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 56549938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).