N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide

C14H24N2O3S — CID 63245939

IUPACN-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCCN)c1ccc(C)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-19-11-12-20(17,18)16(10-4-9-15)14-7-5-13(2)6-8-14/h5-8H,3-4,9-12,15H2,1-2H3
InChIKeyVKSVYGUDTYVMKV-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.52
Rot. Bonds9

About N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide

N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide (PubChem CID 63245939) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide
PubChem CID63245939
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCCN)c1ccc(C)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-19-11-12-20(17,18)16(10-4-9-15)14-7-5-13(2)6-8-14/h5-8H,3-4,9-12,15H2,1-2H3
InChIKeyVKSVYGUDTYVMKV-UHFFFAOYSA-N
XLogP1.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine
CID 43318680
N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide
CID 60859443
N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
CID 63246125
N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide
CID 63245632
N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide
CID 55009877
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 60912336
3-(N-butylsulfonyl-4-methylanilino)propanoic acid
CID 60827496
N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide
CID 104709257
N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride
CID 120584154
N-(3-aminopropyl)-N-(3-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 63290337
N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide
CID 28769588
N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide (CID 63245939) is N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide is CCOCCS(=O)(=O)N(CCCN)c1ccc(C)cc1.
What is the InChIKey of N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide?
The InChIKey is VKSVYGUDTYVMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-19-11-12-20(17,18)16(10-4-9-15)14-7-5-13(2)6-8-14/h5-8H,3-4,9-12,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide?
N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 63245939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).