3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

C12H20N2O3S — CID 61428330

IUPAC3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cccc(C(C)N)c1
InChIInChI=1S/C12H20N2O3S/c1-10(13)11-5-4-6-12(9-11)18(15,16)14(2)7-8-17-3/h4-6,9-10H,7-8,13H2,1-3H3
InChIKeyGVWVZSPOXOFZOG-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.97
Rot. Bonds6

About 3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 61428330) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
PubChem CID61428330
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cccc(C(C)N)c1
InChIInChI=1S/C12H20N2O3S/c1-10(13)11-5-4-6-12(9-11)18(15,16)14(2)7-8-17-3/h4-6,9-10H,7-8,13H2,1-3H3
InChIKeyGVWVZSPOXOFZOG-UHFFFAOYSA-N
XLogP0.97
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81057059
3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61429113
3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43265234
3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61424218
3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43267394
3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948814
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61455432
N-(2-methoxyethyl)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 140900815
N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
CID 43507081
N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 81036858
3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706048
3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455972

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (CID 61428330) is 3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1cccc(C(C)N)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is GVWVZSPOXOFZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(13)11-5-4-6-12(9-11)18(15,16)14(2)7-8-17-3/h4-6,9-10H,7-8,13H2,1-3H3.
What are the key properties of 3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 61428330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).