N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide

C16H24N2O3S — CID 43073346

IUPACN-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1ccc(CC(=O)N2CCCCC2CNS(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O3S/c1-13-6-8-14(9-7-13)11-16(19)18-10-4-3-5-15(18)12-17-22(2,20)21/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyRZSWEXGMHQKEAZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.47
Rot. Bonds5

About N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 43073346) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID43073346
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1ccc(CC(=O)N2CCCCC2CNS(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O3S/c1-13-6-8-14(9-7-13)11-16(19)18-10-4-3-5-15(18)12-17-22(2,20)21/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyRZSWEXGMHQKEAZ-UHFFFAOYSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea
CID 95298468
N-[[(2R)-1-[2-(4-methylphenoxy)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 31998085
1-[2-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63395233
3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244
N-[[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 55678133
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 55187813
2-(4-bromophenyl)-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63249383
N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073286
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073224
N-[[1-[4-(aminomethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119288822
N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 120609023

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide (CID 43073346) is N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide is Cc1ccc(CC(=O)N2CCCCC2CNS(C)(=O)=O)cc1.
What is the InChIKey of N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is RZSWEXGMHQKEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13-6-8-14(9-7-13)11-16(19)18-10-4-3-5-15(18)12-17-22(2,20)21/h6-9,15,17H,3-5,10-12H2,1-2H3.
What are the key properties of N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 43073346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).