N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide

C13H22N2O2S — CID 55150398

IUPACN-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide
SMILESCCCN(CCN)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H22N2O2S/c1-4-8-15(9-7-14)18(16,17)13-6-5-11(2)12(3)10-13/h5-6,10H,4,7-9,14H2,1-3H3
InChIKeyXLLQSLPLTYAPDJ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.66
Rot. Bonds6

About N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide

N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide (PubChem CID 55150398) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide
PubChem CID55150398
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide
SMILESCCCN(CCN)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H22N2O2S/c1-4-8-15(9-7-14)18(16,17)13-6-5-11(2)12(3)10-13/h5-6,10H,4,7-9,14H2,1-3H3
InChIKeyXLLQSLPLTYAPDJ-UHFFFAOYSA-N
XLogP1.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112
N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
CID 63287373
2-[(3,4-dimethylphenyl)sulfonyl-(2-fluorosulfonylethyl)amino]ethanesulfonyl fluoride
CID 3135680
4-methyl-3-nitro-N,N-dipropylbenzenesulfonamide
CID 2836740
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide
CID 79664134
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915434
5-[2-hydroxyethyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 60951704
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
3-(aminomethyl)-4-fluoro-5-methyl-N,N-dipropylbenzenesulfonamide
CID 81435108
4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
CID 60707695

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide (CID 55150398) is N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide is CCCN(CCN)S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide?
The InChIKey is XLLQSLPLTYAPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-8-15(9-7-14)18(16,17)13-6-5-11(2)12(3)10-13/h5-6,10H,4,7-9,14H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide?
N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 55150398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).