4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine

C13H22N2O3S — CID 106721717

IUPAC4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine
SMILESCCCS(=O)(=O)CCOc1cc(N(C)C)ccc1N
InChIInChI=1S/C13H22N2O3S/c1-4-8-19(16,17)9-7-18-13-10-11(15(2)3)5-6-12(13)14/h5-6,10H,4,7-9,14H2,1-3H3
InChIKeyPYGOISWOGDHYGS-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.54
Rot. Bonds7

About 4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine

4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine (PubChem CID 106721717) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine
PubChem CID106721717
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine
SMILESCCCS(=O)(=O)CCOc1cc(N(C)C)ccc1N
InChIInChI=1S/C13H22N2O3S/c1-4-8-19(16,17)9-7-18-13-10-11(15(2)3)5-6-12(13)14/h5-6,10H,4,7-9,14H2,1-3H3
InChIKeyPYGOISWOGDHYGS-UHFFFAOYSA-N
XLogP1.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide
CID 24807240
4-(2,2-Dimethylmorpholin-4-yl)-2-ethoxyaniline
CID 63669826
2-Ethoxy-4-(4-methylpiperazin-1-yl)aniline
CID 59291170
2-Methoxy-4-morpholinoaniline
CID 414960
3-((3-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide
CID 3150946
N-(3,3,5-trimethyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-8-yl)propane-1-sulfonamide
CID 40956003
N-(3,3,5-trimethyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-8-yl)ethanesulfonamide
CID 40956037
2,5-diethoxy-N,N-diethylbenzene-1,4-diamine
CID 105736
N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]acetamide
CID 2814297
3-((2,5-Dimethoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide
CID 18887999
ethyl-N-(3-sulfopropyl) m-anisidine
CID 87965708
N-(3-methylsulfonylpropyl)-3-propoxyaniline
CID 75482352

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine (CID 106721717) is 4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine is CCCS(=O)(=O)CCOc1cc(N(C)C)ccc1N.
What is the InChIKey of 4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine?
The InChIKey is PYGOISWOGDHYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-8-19(16,17)9-7-18-13-10-11(15(2)3)5-6-12(13)14/h5-6,10H,4,7-9,14H2,1-3H3.
What are the key properties of 4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine?
4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine has a molecular weight of 286.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine is sourced from PubChem (CID 106721717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).