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

C12H21N3O2S — CID 62639985

IUPAC2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
SMILESCCN(C)CCNc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C12H21N3O2S/c1-4-15(3)10-9-14-11-7-5-6-8-12(11)18(16,17)13-2/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyKQLRFOPTLNIFKM-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.96
Rot. Bonds7

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

2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide (PubChem CID 62639985) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
PubChem CID62639985
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
SMILESCCN(C)CCNc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C12H21N3O2S/c1-4-15(3)10-9-14-11-7-5-6-8-12(11)18(16,17)13-2/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyKQLRFOPTLNIFKM-UHFFFAOYSA-N
XLogP0.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide
CID 43454301
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
2-(2-methoxyethylamino)-N-methylbenzenesulfonamide
CID 43454289
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
3-[2-(methylsulfamoyl)anilino]propanamide
CID 43553671
2-(6-aminohexylamino)-N-methylbenzenesulfonamide
CID 107845260
N'-ethyl-N-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 143024311
2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43454307
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-ethyl-2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 115430195
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
N-[2-(diethylamino)ethyl]-2-(ethylamino)benzenesulfonamide
CID 62150418

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide (CID 62639985) is 2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide is CCN(C)CCNc1ccccc1S(=O)(=O)NC.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide?
The InChIKey is KQLRFOPTLNIFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-15(3)10-9-14-11-7-5-6-8-12(11)18(16,17)13-2/h5-8,13-14H,4,9-10H2,1-3H3.
What are the key properties of 2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide?
2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 62639985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).