N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide

C15H24N2O3S — CID 134025780

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide
SMILESCc1ccc(OCCN(C)S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-14-6-8-15(9-7-14)20-13-12-16(2)21(18,19)17-10-4-3-5-11-17/h6-9H,3-5,10-13H2,1-2H3
InChIKeyUWYXKSPIQCDYHU-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.04
Rot. Bonds6

About N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide (PubChem CID 134025780) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide
PubChem CID134025780
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide
SMILESCc1ccc(OCCN(C)S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-14-6-8-15(9-7-14)20-13-12-16(2)21(18,19)17-10-4-3-5-11-17/h6-9H,3-5,10-13H2,1-2H3
InChIKeyUWYXKSPIQCDYHU-UHFFFAOYSA-N
XLogP2.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18119321
N,2,6-trimethyl-N-(2-phenoxyethyl)morpholine-4-sulfonamide
CID 51330696
N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide
CID 63396691
4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 4789847
cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 100602479
3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 61074028
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 24507686
N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 61300193
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane
CID 144962995
N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-1-sulfonamide
CID 110705764

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide (CID 134025780) is N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide is Cc1ccc(OCCN(C)S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide?
The InChIKey is UWYXKSPIQCDYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-14-6-8-15(9-7-14)20-13-12-16(2)21(18,19)17-10-4-3-5-11-17/h6-9H,3-5,10-13H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 134025780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).