2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide

C14H25N3O2S — CID 103188525

IUPAC2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C14H25N3O2S/c1-5-17(12(2)11-16(3)4)20(18,19)14-9-7-6-8-13(14)10-15/h6-9,12H,5,10-11,15H2,1-4H3
InChIKeyMYQJYROBFVKENX-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.11
Rot. Bonds7

About 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide

2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide (PubChem CID 103188525) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
PubChem CID103188525
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C14H25N3O2S/c1-5-17(12(2)11-16(3)4)20(18,19)14-9-7-6-8-13(14)10-15/h6-9,12H,5,10-11,15H2,1-4H3
InChIKeyMYQJYROBFVKENX-UHFFFAOYSA-N
XLogP1.11
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.11
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-(aminomethyl)-N,N-diethylbenzenesulfonamide
CID 16783834
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79482199
4-(aminomethyl)-2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103192333
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945773
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydrazinylpyridine-3-sulfonamide
CID 103189660
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948468
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103187524
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103191041
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide
CID 61452012
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103190530

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide (CID 103188525) is 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
The InChIKey is MYQJYROBFVKENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-17(12(2)11-16(3)4)20(18,19)14-9-7-6-8-13(14)10-15/h6-9,12H,5,10-11,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 103188525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).