N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide

C18H30N2O2S — CID 35324512

IUPACN-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C18H30N2O2S/c1-7-20-10-8-17(9-11-20)19(6)23(21,22)18-15(4)13(2)12-14(3)16(18)5/h12,17H,7-11H2,1-6H3
InChIKeyDMTMWMOHHUZJSD-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.03
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide

N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide (PubChem CID 35324512) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide
PubChem CID35324512
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C18H30N2O2S/c1-7-20-10-8-17(9-11-20)19(6)23(21,22)18-15(4)13(2)12-14(3)16(18)5/h12,17H,7-11H2,1-6H3
InChIKeyDMTMWMOHHUZJSD-UHFFFAOYSA-N
XLogP3.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 36649144
N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide
CID 36649156
3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide
CID 106503761
ethane;N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 163266604
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7999416
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide
CID 81242168
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
5-chloro-N-(1-ethylpiperidin-4-yl)-N,1-dimethylimidazole-4-sulfonamide
CID 35324425

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide (CID 35324512) is N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide is CCN1CCC(N(C)S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide?
The InChIKey is DMTMWMOHHUZJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-7-20-10-8-17(9-11-20)19(6)23(21,22)18-15(4)13(2)12-14(3)16(18)5/h12,17H,7-11H2,1-6H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide?
N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide has a molecular weight of 338.52 g/mol, XLogP of 3.03, 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,2,3,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 35324512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).