2-(aminomethyl)-N,N-diethylbenzenesulfonamide

C11H18N2O2S — CID 16783834

IUPAC2-(aminomethyl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C11H18N2O2S/c1-3-13(4-2)16(14,15)11-8-6-5-7-10(11)9-12/h5-8H,3-4,9,12H2,1-2H3
InChIKeyGCHQJHDQQRFUGM-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.18
Rot. Bonds5

About 2-(aminomethyl)-N,N-diethylbenzenesulfonamide

2-(aminomethyl)-N,N-diethylbenzenesulfonamide (PubChem CID 16783834) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-diethylbenzenesulfonamide
PubChem CID16783834
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(aminomethyl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C11H18N2O2S/c1-3-13(4-2)16(14,15)11-8-6-5-7-10(11)9-12/h5-8H,3-4,9,12H2,1-2H3
InChIKeyGCHQJHDQQRFUGM-UHFFFAOYSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79482199
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103188525
2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide
CID 61452012
2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 54947074
2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride
CID 69275017
(2-propylsulfonylphenyl)methanamine;hydrochloride
CID 68816477
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 28544654
N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
CID 91216358
2-(chloromethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102998550
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948468
2-amino-N,N-diethylpyridine-3-sulfonamide
CID 62150875

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N,N-diethylbenzenesulfonamide (CID 16783834) is 2-(aminomethyl)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N,N-diethylbenzenesulfonamide?
The InChIKey is GCHQJHDQQRFUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-13(4-2)16(14,15)11-8-6-5-7-10(11)9-12/h5-8H,3-4,9,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-diethylbenzenesulfonamide?
2-(aminomethyl)-N,N-diethylbenzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 16783834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).