N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide

C12H20N2O4S — CID 55104084

IUPACN-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCN)cc1OC
InChIInChI=1S/C12H20N2O4S/c1-9-7-10(17-3)11(18-4)8-12(9)19(15,16)14(2)6-5-13/h7-8H,5-6,13H2,1-4H3
InChIKeyLEGQJYVXVGADBD-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.59
Rot. Bonds6

About N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide

N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide (PubChem CID 55104084) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide
PubChem CID55104084
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCN)cc1OC
InChIInChI=1S/C12H20N2O4S/c1-9-7-10(17-3)11(18-4)8-12(9)19(15,16)14(2)6-5-13/h7-8H,5-6,13H2,1-4H3
InChIKeyLEGQJYVXVGADBD-UHFFFAOYSA-N
XLogP0.59
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 28707568
4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide
CID 7574310
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine
CID 96672674
N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide
CID 120712336
3-[(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-methylamino]propanoic acid
CID 120606496
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 110753463
N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 119982633
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide
CID 60609634
2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120718040

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide (CID 55104084) is N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCN)cc1OC.
What is the InChIKey of N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide?
The InChIKey is LEGQJYVXVGADBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-9-7-10(17-3)11(18-4)8-12(9)19(15,16)14(2)6-5-13/h7-8H,5-6,13H2,1-4H3.
What are the key properties of N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide?
N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 55104084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).