N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide

C12H20N2O2S — CID 61348592

IUPACN-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CCN)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H20N2O2S/c1-3-9-14(10-8-13)17(15,16)12-6-4-11(2)5-7-12/h4-7H,3,8-10,13H2,1-2H3
InChIKeyHIUQWUJYNWBGCT-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.35
Rot. Bonds6

About N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide

N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide (PubChem CID 61348592) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
PubChem CID61348592
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CCN)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H20N2O2S/c1-3-9-14(10-8-13)17(15,16)12-6-4-11(2)5-7-12/h4-7H,3,8-10,13H2,1-2H3
InChIKeyHIUQWUJYNWBGCT-UHFFFAOYSA-N
XLogP1.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112
N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide
CID 55150398
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
sodium 2-[(4-methylphenyl)sulfonyl-propylamino]ethyl sulfate
CID 59872860
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide
CID 162429714
N,N-dipropylbenzenesulfonamide
CID 4053954
N-(2-aminoethyl)-4-methyl-N-pentan-3-ylbenzenesulfonamide
CID 63764894

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide (CID 61348592) is N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide is CCCN(CCN)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide?
The InChIKey is HIUQWUJYNWBGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-9-14(10-8-13)17(15,16)12-6-4-11(2)5-7-12/h4-7H,3,8-10,13H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide?
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 61348592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).