N-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide

C15H27N3O2S — CID 102471286

IUPACN-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCNCCN(C)C)c(C)c1
InChIInChI=1S/C15H27N3O2S/c1-12-10-13(2)15(14(3)11-12)21(19,20)17-7-6-16-8-9-18(4)5/h10-11,16-17H,6-9H2,1-5H3
InChIKeyPVXXQBFOJOGGFJ-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.04
Rot. Bonds8

About N-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide

N-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 102471286) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID102471286
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCNCCN(C)C)c(C)c1
InChIInChI=1S/C15H27N3O2S/c1-12-10-13(2)15(14(3)11-12)21(19,20)17-7-6-16-8-9-18(4)5/h10-11,16-17H,6-9H2,1-5H3
InChIKeyPVXXQBFOJOGGFJ-UHFFFAOYSA-N
XLogP1.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide (CID 102471286) is N-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCNCCN(C)C)c(C)c1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is PVXXQBFOJOGGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-12-10-13(2)15(14(3)11-12)21(19,20)17-7-6-16-8-9-18(4)5/h10-11,16-17H,6-9H2,1-5H3.
What are the key properties of N-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide?
N-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethylamino]ethyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 102471286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).