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

C12H20N2O2S — CID 94691758

IUPAC2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide
SMILESCc1cc(C)c(CNS(=O)(=O)CCN)c(C)c1
InChIInChI=1S/C12H20N2O2S/c1-9-6-10(2)12(11(3)7-9)8-14-17(15,16)5-4-13/h6-7,14H,4-5,8,13H2,1-3H3
InChIKeyPTJSKCMWAGKCNH-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.99
Rot. Bonds5

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

2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide (PubChem CID 94691758) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide
PubChem CID94691758
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide
SMILESCc1cc(C)c(CNS(=O)(=O)CCN)c(C)c1
InChIInChI=1S/C12H20N2O2S/c1-9-6-10(2)12(11(3)7-9)8-14-17(15,16)5-4-13/h6-7,14H,4-5,8,13H2,1-3H3
InChIKeyPTJSKCMWAGKCNH-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide
CID 94696964
2-(2,2-difluoroethoxy)-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide
CID 138014152
2-[(2,4,6-trimethylphenyl)methylamino]ethanesulfonamide
CID 43551978
(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 104868204
2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
CID 107582977
2-amino-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 82126466
(2-fluoro-4,6-dimethylphenyl)methylhydrazine
CID 106884295
2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide
CID 16783174
2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide
CID 61410493
4-amino-N-[(2-methylphenyl)methyl]butane-1-sulfonamide
CID 54952252
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 119956480

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide (CID 94691758) is 2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide is Cc1cc(C)c(CNS(=O)(=O)CCN)c(C)c1.
What is the InChIKey of 2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide?
The InChIKey is PTJSKCMWAGKCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9-6-10(2)12(11(3)7-9)8-14-17(15,16)5-4-13/h6-7,14H,4-5,8,13H2,1-3H3.
What are the key properties of 2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide?
2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4,6-trimethylphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 94691758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).