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

C13H22N2O3S — CID 82948468

IUPAC2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C13H22N2O3S/c1-11(2)15(8-9-18-3)19(16,17)13-7-5-4-6-12(13)10-14/h4-7,11H,8-10,14H2,1-3H3
InChIKeyQWYVJBRDDFBNTI-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.19
Rot. Bonds7

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

2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 82948468) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID82948468
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C13H22N2O3S/c1-11(2)15(8-9-18-3)19(16,17)13-7-5-4-6-12(13)10-14/h4-7,11H,8-10,14H2,1-3H3
InChIKeyQWYVJBRDDFBNTI-UHFFFAOYSA-N
XLogP1.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 54947074
2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 82949234
methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate
CID 102920579
4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 106997085
3-(aminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948850
2-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82937866
5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 82948618
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103188525
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948431
1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide
CID 43588640
3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948814
2-(aminomethyl)-N,N-diethylbenzenesulfonamide
CID 16783834

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide (CID 82948468) is 2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide is COCCN(C(C)C)S(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QWYVJBRDDFBNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11(2)15(8-9-18-3)19(16,17)13-7-5-4-6-12(13)10-14/h4-7,11H,8-10,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82948468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).