N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide

C16H23BrN2O2S — CID 163349605

IUPACN-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCN(Cc2ccccc2Br)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C16H23BrN2O2S/c1-18(22(20,21)15-6-7-15)14-8-10-19(11-9-14)12-13-4-2-3-5-16(13)17/h2-5,14-15H,6-12H2,1H3
InChIKeyOUYILHPOAOFAOI-UHFFFAOYSA-N
MW387.34 g/mol
LogP2.84
Rot. Bonds5

About N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide

N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide (PubChem CID 163349605) has the molecular formula C16H23BrN2O2S and a molecular weight of 387.34 g/mol. Its IUPAC name is N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide
PubChem CID163349605
Molecular FormulaC16H23BrN2O2S
Molecular Weight387.34 g/mol
Exact Mass386.07
IUPAC NameN-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCN(Cc2ccccc2Br)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C16H23BrN2O2S/c1-18(22(20,21)15-6-7-15)14-8-10-19(11-9-14)12-13-4-2-3-5-16(13)17/h2-5,14-15H,6-12H2,1H3
InChIKeyOUYILHPOAOFAOI-UHFFFAOYSA-N
XLogP2.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171336029
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328729
N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 71986980
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55138055
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 55023776
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 163348150
N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 113223431
[(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
CID 71836795
(3S,5S)-1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine
CID 7026651
(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine
CID 7026530
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369209

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide (CID 163349605) is N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide is CN(C1CCN(Cc2ccccc2Br)CC1)S(=O)(=O)C1CC1.
What is the InChIKey of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide?
The InChIKey is OUYILHPOAOFAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2S/c1-18(22(20,21)15-6-7-15)14-8-10-19(11-9-14)12-13-4-2-3-5-16(13)17/h2-5,14-15H,6-12H2,1H3.
What are the key properties of N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide?
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide has a molecular weight of 387.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 163349605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).