N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide

C15H22BrN3O2S — CID 163348279

IUPACN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
SMILESCc1cc(Br)cnc1N1CCC(N(C)S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C15H22BrN3O2S/c1-11-9-12(16)10-17-15(11)19-7-5-13(6-8-19)18(2)22(20,21)14-3-4-14/h9-10,13-14H,3-8H2,1-2H3
InChIKeyYCNAYNQHLJKTLJ-UHFFFAOYSA-N
MW388.33 g/mol
LogP2.55
Rot. Bonds4

About N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide

N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide (PubChem CID 163348279) has the molecular formula C15H22BrN3O2S and a molecular weight of 388.33 g/mol. Its IUPAC name is N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
PubChem CID163348279
Molecular FormulaC15H22BrN3O2S
Molecular Weight388.33 g/mol
Exact Mass387.06
IUPAC NameN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
SMILESCc1cc(Br)cnc1N1CCC(N(C)S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C15H22BrN3O2S/c1-11-9-12(16)10-17-15(11)19-7-5-13(6-8-19)18(2)22(20,21)14-3-4-14/h9-10,13-14H,3-8H2,1-2H3
InChIKeyYCNAYNQHLJKTLJ-UHFFFAOYSA-N
XLogP2.55
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[4-(chloromethyl)piperidin-1-yl]-3-methylpyridine
CID 79718248
1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171704130
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172881149
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide
CID 84586788
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
CID 171996337
4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 171997335
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346285
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
CID 163346392

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide (CID 163348279) is N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide is Cc1cc(Br)cnc1N1CCC(N(C)S(=O)(=O)C2CC2)CC1.
What is the InChIKey of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The InChIKey is YCNAYNQHLJKTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2S/c1-11-9-12(16)10-17-15(11)19-7-5-13(6-8-19)18(2)22(20,21)14-3-4-14/h9-10,13-14H,3-8H2,1-2H3.
What are the key properties of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide?
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide has a molecular weight of 388.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 163348279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).