3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide

C14H25N3O2S — CID 106054898

IUPAC3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(CN)cccc1S(=O)(=O)NC(C)CCN(C)C
InChIInChI=1S/C14H25N3O2S/c1-11(8-9-17(3)4)16-20(18,19)14-7-5-6-13(10-15)12(14)2/h5-7,11,16H,8-10,15H2,1-4H3
InChIKeyQAOJOZMGNMSTDR-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.07
Rot. Bonds7

About 3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide

3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide (PubChem CID 106054898) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide
PubChem CID106054898
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(CN)cccc1S(=O)(=O)NC(C)CCN(C)C
InChIInChI=1S/C14H25N3O2S/c1-11(8-9-17(3)4)16-20(18,19)14-7-5-6-13(10-15)12(14)2/h5-7,11,16H,8-10,15H2,1-4H3
InChIKeyQAOJOZMGNMSTDR-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 106074393
3-(aminomethyl)-N-[4-(dimethylamino)butyl]-2-methylbenzenesulfonamide
CID 106051784
2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 94227411
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945773
3-(aminomethyl)-2-methyl-N-octan-4-ylbenzenesulfonamide
CID 106094704
3-(aminomethyl)-2,4-dichloro-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 106054870
3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-4-fluorobenzenesulfonamide
CID 63289077
4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide
CID 106054924
3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021295
3-[4-(dimethylamino)butan-2-ylsulfamoyl]pyridine-2-carbothioamide
CID 106596928
3-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-2-methylbenzenesulfonamide
CID 106094144
3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 106053446

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide (CID 106054898) is 3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide is Cc1c(CN)cccc1S(=O)(=O)NC(C)CCN(C)C.
What is the InChIKey of 3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is QAOJOZMGNMSTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11(8-9-17(3)4)16-20(18,19)14-7-5-6-13(10-15)12(14)2/h5-7,11,16H,8-10,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide?
3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 106054898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).