N-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide

C15H24N2O2S — CID 50875556

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCN1CCC(CCNS(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-17-11-8-14(9-12-17)7-10-16-20(18,19)13-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3
InChIKeyKICDIWDQFJYQRM-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.84
Rot. Bonds6

About N-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide

N-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 50875556) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide
PubChem CID50875556
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCN1CCC(CCNS(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-17-11-8-14(9-12-17)7-10-16-20(18,19)13-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3
InChIKeyKICDIWDQFJYQRM-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenylmethanesulfonyl-piperidine
CID 273955
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
N-(4-phenylbutyl)ethanesulfonamide
CID 2179616
N-(3-phenylpropyl)ethanesulfonamide
CID 2167095
3-[1-(3-Phenylprop-2-yn-1-yl)piperidinium-1-yl]propane-1-sulfonate
CID 4642982
4-Methyl-1-tosylpiperidine
CID 755367
1-(2-Phenylethenesulfonyl)piperazine
CID 5893769
1-Phenylmethanesulfonylpiperazine
CID 2512733
1-Benzylsulfonyl-4-ethylpiperazine
CID 645383
4-Benzyl-1-(benzylsulfonyl)piperidine
CID 669284
1-(4-Methyl-cyclohexyl)-4-phenylmethanesulfonyl-piperazine
CID 1151775
4-Benzyl-1-(2-phenylethenesulfonyl)piperidine
CID 2475510

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide (CID 50875556) is N-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide is CN1CCC(CCNS(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is KICDIWDQFJYQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-17-11-8-14(9-12-17)7-10-16-20(18,19)13-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3.
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide?
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 50875556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).