N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide

C16H26N2O2S — CID 56915066

IUPACN-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-21(19,20)18(16-10-12-17(2)13-11-16)14-9-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3
InChIKeyCCFPSOFSAYGXAD-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.98
Rot. Bonds6

About N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide

N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide (PubChem CID 56915066) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide
PubChem CID56915066
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-21(19,20)18(16-10-12-17(2)13-11-16)14-9-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3
InChIKeyCCFPSOFSAYGXAD-UHFFFAOYSA-N
XLogP1.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide
CID 56896686
N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide
CID 58035050
N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide
CID 80687108
1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea
CID 126444584
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide
CID 113096008
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-1-phenylmethanesulfonamide
CID 90607497
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 24731456
N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
CID 2057989
N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 3309976
1-methyl-4-(2-phenylethoxy)piperidine
CID 18722996

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide (CID 56915066) is N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide is CCS(=O)(=O)N(CCc1ccccc1)C1CCN(C)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide?
The InChIKey is CCFPSOFSAYGXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-21(19,20)18(16-10-12-17(2)13-11-16)14-9-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3.
What are the key properties of N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide?
N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide is sourced from PubChem (CID 56915066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).