2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide

C12H21N3O2S — CID 62636102

IUPAC2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
SMILESCCN(C)CCNS(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C12H21N3O2S/c1-4-15(3)8-7-14-18(16,17)12-6-5-10(2)9-11(12)13/h5-6,9,14H,4,7-8,13H2,1-3H3
InChIKeyUHENSSYENBDIBZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.81
Rot. Bonds6

About 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide

2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide (PubChem CID 62636102) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
PubChem CID62636102
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
SMILESCCN(C)CCNS(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C12H21N3O2S/c1-4-15(3)8-7-14-18(16,17)12-6-5-10(2)9-11(12)13/h5-6,9,14H,4,7-8,13H2,1-3H3
InChIKeyUHENSSYENBDIBZ-UHFFFAOYSA-N
XLogP0.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43258900
2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
CID 43590960
3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83109055
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 106996912
2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981145
5-bromo-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 62045684
2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 61112895
2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61111569
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 83107893
2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62635948
2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61106774

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide (CID 62636102) is 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide is CCN(C)CCNS(=O)(=O)c1ccc(C)cc1N.
What is the InChIKey of 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is UHENSSYENBDIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-15(3)8-7-14-18(16,17)12-6-5-10(2)9-11(12)13/h5-6,9,14H,4,7-8,13H2,1-3H3.
What are the key properties of 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide?
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 62636102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).