N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide

C12H20N2O2S — CID 63766579

IUPACN-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(C)N)c(C)c1
InChIInChI=1S/C12H20N2O2S/c1-9-5-6-12(10(2)7-9)17(15,16)14(4)8-11(3)13/h5-7,11H,8,13H2,1-4H3
InChIKeyMERRLXCJDZCJLA-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.27
Rot. Bonds4

About N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide

N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide (PubChem CID 63766579) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide
PubChem CID63766579
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(C)N)c(C)c1
InChIInChI=1S/C12H20N2O2S/c1-9-5-6-12(10(2)7-9)17(15,16)14(4)8-11(3)13/h5-7,11H,8,13H2,1-4H3
InChIKeyMERRLXCJDZCJLA-UHFFFAOYSA-N
XLogP1.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
N-(1-chloropropan-2-yl)-N,2,4-trimethylbenzenesulfonamide
CID 104556527
2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 118740633
3-methyl-4-[methyl(2-methylpropyl)sulfamoyl]benzenecarbothioamide
CID 106997699
N-(2-bromoethyl)-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 80670731
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2,4-trimethylbenzenesulfonamide
CID 8778152
N-(2-aminopropyl)-2-fluoro-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 63767352
N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716059
methyl 4-[(2,4-dimethylphenyl)sulfonyl-methylamino]butanoate
CID 60715387
N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide
CID 28707755
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
2-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 60844468

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide (CID 63766579) is N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(C)N)c(C)c1.
What is the InChIKey of N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide?
The InChIKey is MERRLXCJDZCJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9-5-6-12(10(2)7-9)17(15,16)14(4)8-11(3)13/h5-7,11H,8,13H2,1-4H3.
What are the key properties of N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide?
N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 63766579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).