4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide

C14H24N2O3S — CID 106997085

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1ccc(CN)cc1C
InChIInChI=1S/C14H24N2O3S/c1-11(2)16(7-8-19-4)20(17,18)14-6-5-13(10-15)9-12(14)3/h5-6,9,11H,7-8,10,15H2,1-4H3
InChIKeyDMBZTJWUFVHUCH-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.50
Rot. Bonds7

About 4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide

4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 106997085) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID106997085
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1ccc(CN)cc1C
InChIInChI=1S/C14H24N2O3S/c1-11(2)16(7-8-19-4)20(17,18)14-6-5-13(10-15)9-12(14)3/h5-6,9,11H,7-8,10,15H2,1-4H3
InChIKeyDMBZTJWUFVHUCH-UHFFFAOYSA-N
XLogP1.50
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 82948618
4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 106996837
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948468
4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide
CID 106996606
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948431
2-bromo-5-(chloromethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 114363699
4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 61109788
2-bromo-5-(hydroxymethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82953173
4-(aminomethyl)-N,N-dibutyl-2-methylbenzenesulfonamide
CID 106996655
4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 102931550
3-(aminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948850
N-(2-bromoethyl)-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 80670731

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide (CID 106997085) is 4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide is COCCN(C(C)C)S(=O)(=O)c1ccc(CN)cc1C.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is DMBZTJWUFVHUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11(2)16(7-8-19-4)20(17,18)14-6-5-13(10-15)9-12(14)3/h5-6,9,11H,7-8,10,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106997085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).