N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide

C17H26N2O3S — CID 163346524

IUPACN-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCOc1cccc(CN2CCCC(N(C)S(=O)(=O)C3CC3)C2)c1
InChIInChI=1S/C17H26N2O3S/c1-18(23(20,21)17-8-9-17)15-6-4-10-19(13-15)12-14-5-3-7-16(11-14)22-2/h3,5,7,11,15,17H,4,6,8-10,12-13H2,1-2H3
InChIKeyGVRMWGFJHUWCMU-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.08
Rot. Bonds6

About N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide

N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide (PubChem CID 163346524) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
PubChem CID163346524
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCOc1cccc(CN2CCCC(N(C)S(=O)(=O)C3CC3)C2)c1
InChIInChI=1S/C17H26N2O3S/c1-18(23(20,21)17-8-9-17)15-6-4-10-19(13-15)12-14-5-3-7-16(11-14)22-2/h3,5,7,11,15,17H,4,6,8-10,12-13H2,1-2H3
InChIKeyGVRMWGFJHUWCMU-UHFFFAOYSA-N
XLogP2.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346546
N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 10113916
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 163349558
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171996260
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 99959391
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63852701
(3S,9R)-11-[(3-methoxyphenyl)methyl]-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 126461245

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide (CID 163346524) is N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide is COc1cccc(CN2CCCC(N(C)S(=O)(=O)C3CC3)C2)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The InChIKey is GVRMWGFJHUWCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-18(23(20,21)17-8-9-17)15-6-4-10-19(13-15)12-14-5-3-7-16(11-14)22-2/h3,5,7,11,15,17H,4,6,8-10,12-13H2,1-2H3.
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 163346524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).