N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide

C12H20N2O3S — CID 28707568

IUPACN-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCN)cc1C
InChIInChI=1S/C12H20N2O3S/c1-9-8-12(10(2)7-11(9)17-4)18(15,16)14(3)6-5-13/h7-8H,5-6,13H2,1-4H3
InChIKeyNIXFJYHBBBQYLZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.89
Rot. Bonds5

About N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide

N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide (PubChem CID 28707568) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
PubChem CID28707568
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCN)cc1C
InChIInChI=1S/C12H20N2O3S/c1-9-8-12(10(2)7-11(9)17-4)18(15,16)14(3)6-5-13/h7-8H,5-6,13H2,1-4H3
InChIKeyNIXFJYHBBBQYLZ-UHFFFAOYSA-N
XLogP0.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide (CID 28707568) is N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCN)cc1C.
What is the InChIKey of N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is NIXFJYHBBBQYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9-8-12(10(2)7-11(9)17-4)18(15,16)14(3)6-5-13/h7-8H,5-6,13H2,1-4H3.
What are the key properties of N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide?
N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 28707568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).