N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide

C8H20N2O3S — CID 63290294

IUPACN-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide
SMILESCCN(CCN)S(=O)(=O)CCCOC
InChIInChI=1S/C8H20N2O3S/c1-3-10(6-5-9)14(11,12)8-4-7-13-2/h3-9H2,1-2H3
InChIKeyUURNVAFTQPCWAH-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.37
Rot. Bonds8

About N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide

N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide (PubChem CID 63290294) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide
PubChem CID63290294
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC NameN-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide
SMILESCCN(CCN)S(=O)(=O)CCCOC
InChIInChI=1S/C8H20N2O3S/c1-3-10(6-5-9)14(11,12)8-4-7-13-2/h3-9H2,1-2H3
InChIKeyUURNVAFTQPCWAH-UHFFFAOYSA-N
XLogP-0.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.37
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-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide
CID 63765608
3-amino-N-ethyl-N-propylpropane-1-sulfonamide
CID 60910344
N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide
CID 63287729
1-amino-2-[ethyl(2-methoxyethylsulfamoyl)amino]ethane
CID 114813872
N-(2-bromoethyl)-N-butyl-3-methoxypropane-1-sulfonamide
CID 80670145
N-[(2-aminophenyl)methyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290024
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172878
N-(3-aminopropyl)-N-ethyl-2-propan-2-yloxyethanesulfonamide
CID 79594690
4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide
CID 103340731
N-(2-aminoethyl)-N-propylpropane-1-sulfonamide
CID 61348593
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
3-[3-methoxypropylsulfonyl(methyl)amino]propanethioamide
CID 63290273

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide (CID 63290294) is N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide is CCN(CCN)S(=O)(=O)CCCOC.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide?
The InChIKey is UURNVAFTQPCWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-3-10(6-5-9)14(11,12)8-4-7-13-2/h3-9H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide?
N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63290294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).