3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C14H24N2O3S — CID 81057059

IUPAC3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1cccc(C(C)N)c1
InChIInChI=1S/C14H24N2O3S/c1-11(2)19-9-8-16(4)20(17,18)14-7-5-6-13(10-14)12(3)15/h5-7,10-12H,8-9,15H2,1-4H3
InChIKeyZDVYFXNXSAJVBF-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.75
Rot. Bonds7

About 3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide

3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 81057059) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID81057059
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1cccc(C(C)N)c1
InChIInChI=1S/C14H24N2O3S/c1-11(2)19-9-8-16(4)20(17,18)14-7-5-6-13(10-14)12(3)15/h5-7,10-12H,8-9,15H2,1-4H3
InChIKeyZDVYFXNXSAJVBF-UHFFFAOYSA-N
XLogP1.75
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428330
N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 80708286
3-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzenecarbothioamide
CID 81056059
4-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791714
3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61429113
3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43265234
4-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81059115
3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81068355
3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61424218
4-(2-aminoethoxy)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81064529
3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43267394
N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
CID 43507081

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 81057059) is 3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is CC(C)OCCN(C)S(=O)(=O)c1cccc(C(C)N)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is ZDVYFXNXSAJVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11(2)19-9-8-16(4)20(17,18)14-7-5-6-13(10-14)12(3)15/h5-7,10-12H,8-9,15H2,1-4H3.
What are the key properties of 3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 81057059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).