N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide

C16H26N2O2S — CID 36649156

IUPACN-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C16H26N2O2S/c1-5-18-10-8-15(9-11-18)17(4)21(19,20)16-7-6-13(2)14(3)12-16/h6-7,12,15H,5,8-11H2,1-4H3
InChIKeyKSPQFJHQOXHTLL-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.41
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide

N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide (PubChem CID 36649156) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide
PubChem CID36649156
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C16H26N2O2S/c1-5-18-10-8-15(9-11-18)17(4)21(19,20)16-7-6-13(2)14(3)12-16/h6-7,12,15H,5,8-11H2,1-4H3
InChIKeyKSPQFJHQOXHTLL-UHFFFAOYSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 82845259
N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 36649144
N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 35324512
6-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
CID 114613188
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide
CID 81242168
ethane;N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 163266604
4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
CID 106833025
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513
N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165021
5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide
CID 106267859
3-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059874

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide (CID 36649156) is N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide is CCN1CCC(N(C)S(=O)(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide?
The InChIKey is KSPQFJHQOXHTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-5-18-10-8-15(9-11-18)17(4)21(19,20)16-7-6-13(2)14(3)12-16/h6-7,12,15H,5,8-11H2,1-4H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide?
N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 36649156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).