N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide

C17H28N2O2S — CID 36649144

IUPACN-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C17H28N2O2S/c1-6-19-9-7-16(8-10-19)18(5)22(20,21)17-14(3)11-13(2)12-15(17)4/h11-12,16H,6-10H2,1-5H3
InChIKeyJIHBLXGDPVCRRZ-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.72
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide

N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide (PubChem CID 36649144) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
PubChem CID36649144
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C17H28N2O2S/c1-6-19-9-7-16(8-10-19)18(5)22(20,21)17-14(3)11-13(2)12-15(17)4/h11-12,16H,6-10H2,1-5H3
InChIKeyJIHBLXGDPVCRRZ-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 35324512
N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide
CID 36649156
N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 107173016
N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326759
ethane;N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 163266604
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide
CID 81242168
4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 107326757
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 82845259
1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 83092528
5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide
CID 43576335
4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 134018860
N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 36649212

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide (CID 36649144) is N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide is CCN1CCC(N(C)S(=O)(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide?
The InChIKey is JIHBLXGDPVCRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-6-19-9-7-16(8-10-19)18(5)22(20,21)17-14(3)11-13(2)12-15(17)4/h11-12,16H,6-10H2,1-5H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide?
N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 2.72, 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,2,4,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 36649144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).