N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide

C14H24N2O4S — CID 79593302

IUPACN-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CCOC(C)C)cc1CN
InChIInChI=1S/C14H24N2O4S/c1-4-19-14-6-5-13(9-12(14)10-15)16-21(17,18)8-7-20-11(2)3/h5-6,9,11,16H,4,7-8,10,15H2,1-3H3
InChIKeyDXUFYTIKOUTVHN-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.71
Rot. Bonds9

About N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide

N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 79593302) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID79593302
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CCOC(C)C)cc1CN
InChIInChI=1S/C14H24N2O4S/c1-4-19-14-6-5-13(9-12(14)10-15)16-21(17,18)8-7-20-11(2)3/h5-6,9,11,16H,4,7-8,10,15H2,1-3H3
InChIKeyDXUFYTIKOUTVHN-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79130523
2-ethoxy-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 63246299
methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate
CID 114467010
2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79592852
N-[2-(aminomethyl)-4-fluorophenyl]-2-propan-2-yloxyethanesulfonamide
CID 82013391
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309
N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 113249970
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480
4-(2-propan-2-yloxyethylsulfonylamino)benzenecarbothioamide
CID 79594551
4-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79149174
N'-hydroxy-4-(2-propan-2-yloxyethylsulfonylamino)benzenecarboximidamide
CID 79593806

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide (CID 79593302) is N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide is CCOc1ccc(NS(=O)(=O)CCOC(C)C)cc1CN.
What is the InChIKey of N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is DXUFYTIKOUTVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-19-14-6-5-13(9-12(14)10-15)16-21(17,18)8-7-20-11(2)3/h5-6,9,11,16H,4,7-8,10,15H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide?
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79593302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).