1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine

C14H24N2O2S — CID 79477025

IUPAC1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
SMILESCCC(C)CN(CC)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C14H24N2O2S/c1-5-11(3)10-16(6-2)14-8-7-12(9-13(14)15)19(4,17)18/h7-9,11H,5-6,10,15H2,1-4H3
InChIKeyOYJDDUUWPRRMGX-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.54
Rot. Bonds6

About 1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine

1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine (PubChem CID 79477025) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
PubChem CID79477025
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
SMILESCCC(C)CN(CC)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C14H24N2O2S/c1-5-11(3)10-16(6-2)14-8-7-12(9-13(14)15)19(4,17)18/h7-9,11H,5-6,10,15H2,1-4H3
InChIKeyOYJDDUUWPRRMGX-UHFFFAOYSA-N
XLogP2.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-methyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382637
1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79381958
2-[2-amino-N-(cyanomethyl)-4-methylsulfonylanilino]acetonitrile
CID 43382624
1-N-cyclopropyl-1-N-(3-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 78973880
3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
CID 28795747
5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 103287184
1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine
CID 43447936
3-(2-amino-N-methyl-4-methylsulfonylanilino)butanenitrile
CID 63223014
1-N-butyl-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine
CID 43447947
4-bromo-2-N-ethyl-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 79477416
2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 79477918
2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide
CID 54989457

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine (CID 79477025) is 1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine is CCC(C)CN(CC)c1ccc(S(C)(=O)=O)cc1N.
What is the InChIKey of 1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine?
The InChIKey is OYJDDUUWPRRMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-11(3)10-16(6-2)14-8-7-12(9-13(14)15)19(4,17)18/h7-9,11H,5-6,10,15H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine?
1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine has a molecular weight of 284.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine is sourced from PubChem (CID 79477025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).