N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide

C13H22N2O3S — CID 55009877

IUPACN-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCCN)c1ccccc1C
InChIInChI=1S/C13H22N2O3S/c1-12-6-3-4-7-13(12)15(9-5-8-14)19(16,17)11-10-18-2/h3-4,6-7H,5,8-11,14H2,1-2H3
InChIKeyBYADNKFJRCHAEH-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.13
Rot. Bonds8

About N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide

N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide (PubChem CID 55009877) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide
PubChem CID55009877
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)N(CCCN)c1ccccc1C
InChIInChI=1S/C13H22N2O3S/c1-12-6-3-4-7-13(12)15(9-5-8-14)19(16,17)11-10-18-2/h3-4,6-7H,5,8-11,14H2,1-2H3
InChIKeyBYADNKFJRCHAEH-UHFFFAOYSA-N
XLogP1.13
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
CID 120664287
N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide
CID 43318687
N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide
CID 43318689
N-(2-aminophenyl)-3-methoxy-N-propylpropane-1-sulfonamide
CID 55171150
1-[3-aminopropyl(2-methoxyethylsulfamoyl)amino]-2-fluorobenzene
CID 114813776
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
CID 63287056
N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 63290337
N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide
CID 63245939
N-(2-aminophenyl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55170956
N-benzyl-2-methoxy-N-phenylethanesulfonamide
CID 110300125
N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
CID 54935456
3-(N-ethylsulfonyl-2-methylanilino)propanoic acid
CID 28764157

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide (CID 55009877) is N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide is COCCS(=O)(=O)N(CCCN)c1ccccc1C.
What is the InChIKey of N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide?
The InChIKey is BYADNKFJRCHAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-12-6-3-4-7-13(12)15(9-5-8-14)19(16,17)11-10-18-2/h3-4,6-7H,5,8-11,14H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide?
N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 55009877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).