4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine

C14H24N2O2S — CID 55158057

IUPAC4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCS(=O)(=O)CC)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-16(5-2)14-9-7-13(8-10-14)15-11-12-19(17,18)6-3/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyKRSFOLCNVAXTLU-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.38
Rot. Bonds8

About 4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine (PubChem CID 55158057) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine
PubChem CID55158057
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCS(=O)(=O)CC)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-16(5-2)14-9-7-13(8-10-14)15-11-12-19(17,18)6-3/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyKRSFOLCNVAXTLU-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)anilino]ethanethiol
CID 83962996
N-(2-ethylsulfonylethyl)-4-methoxyaniline
CID 43807675
N-(2-ethylsulfonylethyl)-4-phenylaniline
CID 62253497
3-[4-(diethylamino)anilino]propanenitrile
CID 39261332
N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
CID 45050507
4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine
CID 43680115
4-N,4-N-diethyl-1-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 115513702
4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
CID 39367289
5-[4-(diethylamino)anilino]pentanoic acid
CID 63180274
1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 54796313
2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
4-(2-ethylsulfonylethylamino)benzenecarbothioamide
CID 114111069

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine (CID 55158057) is 4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine is CCN(CC)c1ccc(NCCS(=O)(=O)CC)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine?
The InChIKey is KRSFOLCNVAXTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-16(5-2)14-9-7-13(8-10-14)15-11-12-19(17,18)6-3/h7-10,15H,4-6,11-12H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine has a molecular weight of 284.43 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine is sourced from PubChem (CID 55158057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).