N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide

C12H16BrN3O3S — CID 107518487

IUPACN-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ncccc2Br)CC1
InChIInChI=1S/C12H16BrN3O3S/c1-20(18,19)15-9-4-7-16(8-5-9)12(17)11-10(13)3-2-6-14-11/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyDOTMWPUIDFKVDD-UHFFFAOYSA-N
MW362.25 g/mol
LogP1.00
Rot. Bonds3

About N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide

N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 107518487) has the molecular formula C12H16BrN3O3S and a molecular weight of 362.25 g/mol. Its IUPAC name is N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID107518487
Molecular FormulaC12H16BrN3O3S
Molecular Weight362.25 g/mol
Exact Mass361.01
IUPAC NameN-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ncccc2Br)CC1
InChIInChI=1S/C12H16BrN3O3S/c1-20(18,19)15-9-4-7-16(8-5-9)12(17)11-10(13)3-2-6-14-11/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyDOTMWPUIDFKVDD-UHFFFAOYSA-N
XLogP1.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 135110737
N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide
CID 72890935
N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 104741726
1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107517086
N-[1-(2-bromo-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 103853007
N-[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
CID 55478344
(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 107517750
N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide
CID 60706031
N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 112723098
(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 107518959
2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 107517164

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide (CID 107518487) is N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)c2ncccc2Br)CC1.
What is the InChIKey of N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is DOTMWPUIDFKVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3S/c1-20(18,19)15-9-4-7-16(8-5-9)12(17)11-10(13)3-2-6-14-11/h2-3,6,9,15H,4-5,7-8H2,1H3.
What are the key properties of N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide?
N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 362.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 107518487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).