2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide

C13H22N2O2S — CID 94696964

IUPAC2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide
SMILESCc1cc(C)c(CCNS(=O)(=O)CCN)c(C)c1
InChIInChI=1S/C13H22N2O2S/c1-10-8-11(2)13(12(3)9-10)4-6-15-18(16,17)7-5-14/h8-9,15H,4-7,14H2,1-3H3
InChIKeyGPSTZLOCRHWBJV-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.03
Rot. Bonds6

About 2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide

2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide (PubChem CID 94696964) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide
PubChem CID94696964
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide
SMILESCc1cc(C)c(CCNS(=O)(=O)CCN)c(C)c1
InChIInChI=1S/C13H22N2O2S/c1-10-8-11(2)13(12(3)9-10)4-6-15-18(16,17)7-5-14/h8-9,15H,4-7,14H2,1-3H3
InChIKeyGPSTZLOCRHWBJV-UHFFFAOYSA-N
XLogP1.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide
CID 94691758
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
4-amino-N-[2-(3-methylphenyl)ethyl]butane-1-sulfonamide
CID 62313210
2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136129
3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide
CID 62615783
N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 110788028
2-[(2,4,6-trimethylphenyl)methylamino]ethanesulfonamide
CID 43551978
2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
CID 107582977
2-amino-N-(2-hydroxyethyl)ethanesulfonamide
CID 87239494
2-amino-N-(2-sulfamoylethyl)ethanesulfonamide
CID 43552164
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106395892
2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 64532031

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide (CID 94696964) is 2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide is Cc1cc(C)c(CCNS(=O)(=O)CCN)c(C)c1.
What is the InChIKey of 2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide?
The InChIKey is GPSTZLOCRHWBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10-8-11(2)13(12(3)9-10)4-6-15-18(16,17)7-5-14/h8-9,15H,4-7,14H2,1-3H3.
What are the key properties of 2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide?
2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 94696964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).