N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide

C13H22N2O2S — CID 21292728

IUPACN-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide
SMILESCCN(CCNS(C)(=O)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H22N2O2S/c1-5-15(9-8-14-18(4,16)17)13-7-6-11(2)12(3)10-13/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeyRDJCLAOOQCDDBD-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.68
Rot. Bonds6

About N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide

N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide (PubChem CID 21292728) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide
PubChem CID21292728
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide
SMILESCCN(CCNS(C)(=O)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H22N2O2S/c1-5-15(9-8-14-18(4,16)17)13-7-6-11(2)12(3)10-13/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeyRDJCLAOOQCDDBD-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide (CID 21292728) is N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide is CCN(CCNS(C)(=O)=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide?
The InChIKey is RDJCLAOOQCDDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-15(9-8-14-18(4,16)17)13-7-6-11(2)12(3)10-13/h6-7,10,14H,5,8-9H2,1-4H3.
What are the key properties of N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide?
N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3,4-dimethylanilino)ethyl]methanesulfonamide is sourced from PubChem (CID 21292728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).