4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide

C14H24N2O4S — CID 106068700

IUPAC4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1ccc(OCCN)cc1)C(C)C
InChIInChI=1S/C14H24N2O4S/c1-11(2)14(10-19-3)16-21(17,18)13-6-4-12(5-7-13)20-9-8-15/h4-7,11,14,16H,8-10,15H2,1-3H3
InChIKeyIYYRDKYJAVKUNO-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.97
Rot. Bonds9

About 4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide

4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106068700) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID106068700
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCOCC(NS(=O)(=O)c1ccc(OCCN)cc1)C(C)C
InChIInChI=1S/C14H24N2O4S/c1-11(2)14(10-19-3)16-21(17,18)13-6-4-12(5-7-13)20-9-8-15/h4-7,11,14,16H,8-10,15H2,1-3H3
InChIKeyIYYRDKYJAVKUNO-UHFFFAOYSA-N
XLogP0.97
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212
4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-3-methylbenzenesulfonamide
CID 106919463
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 106068777
5-[(1-methoxy-3-methylbutan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614543
4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 107110952
N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide
CID 106056940
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047904
4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962
4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106084999
4-(2-aminoethoxy)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064727
4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078716
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-nitrobenzenesulfonamide
CID 82847437

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide (CID 106068700) is 4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide is COCC(NS(=O)(=O)c1ccc(OCCN)cc1)C(C)C.
What is the InChIKey of 4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is IYYRDKYJAVKUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-11(2)14(10-19-3)16-21(17,18)13-6-4-12(5-7-13)20-9-8-15/h4-7,11,14,16H,8-10,15H2,1-3H3.
What are the key properties of 4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide?
4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106068700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).