N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine

C15H24N2O4S — CID 3330886

IUPACN-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C15H24N2O4S/c1-4-22(18,19)17-9-7-12(8-10-17)16-14-11-13(20-2)5-6-15(14)21-3/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeyJTIYCQVOUGYXIA-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.93
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine

N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine (PubChem CID 3330886) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine
PubChem CID3330886
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(Nc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C15H24N2O4S/c1-4-22(18,19)17-9-7-12(8-10-17)16-14-11-13(20-2)5-6-15(14)21-3/h5-6,11-12,16H,4,7-10H2,1-3H3
InChIKeyJTIYCQVOUGYXIA-UHFFFAOYSA-N
XLogP1.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-6-methoxyisoquinolin-8-amine
CID 67403344
N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine
CID 4270050
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792
N-(2,5-dimethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363627
4-(2,4-dimethoxyanilino)piperidine-1-carboxamide
CID 43758070
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080
3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
(2,5-dimethoxyphenyl)-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810052
N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007617
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
CID 106058868

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine (CID 3330886) is N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine is CCS(=O)(=O)N1CCC(Nc2cc(OC)ccc2OC)CC1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine?
The InChIKey is JTIYCQVOUGYXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-22(18,19)17-9-7-12(8-10-17)16-14-11-13(20-2)5-6-15(14)21-3/h5-6,11-12,16H,4,7-10H2,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine?
N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine has a molecular weight of 328.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine is sourced from PubChem (CID 3330886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).