N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide

C14H22N2O2S — CID 60892098

IUPACN-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-2-4-14(5-3-12)16-19(17,18)11-8-13-6-9-15-10-7-13/h2-5,13,15-16H,6-11H2,1H3
InChIKeyNTFJGDWKYBFMMH-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.13
Rot. Bonds5

About N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide

N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide (PubChem CID 60892098) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
PubChem CID60892098
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-2-4-14(5-3-12)16-19(17,18)11-8-13-6-9-15-10-7-13/h2-5,13,15-16H,6-11H2,1H3
InChIKeyNTFJGDWKYBFMMH-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892291
N-phenyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115047411
N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892692
N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide
CID 58694755
N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 62871000
1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide
CID 115071249
2-cyclobutyl-N-[4-(hydroxymethyl)phenyl]ethanesulfonamide
CID 112746969
N-benzyl-2-piperidin-4-ylethanesulfonamide
CID 60890567
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide
CID 115071321
3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
CID 94685063
1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
CID 70037679

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide (CID 60892098) is N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide is Cc1ccc(NS(=O)(=O)CCC2CCNCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide?
The InChIKey is NTFJGDWKYBFMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-2-4-14(5-3-12)16-19(17,18)11-8-13-6-9-15-10-7-13/h2-5,13,15-16H,6-11H2,1H3.
What are the key properties of N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide?
N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 60892098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).