2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine

C11H18N2O3S — CID 114110496

IUPAC2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine
SMILESCCS(=O)(=O)CCNc1cc(OC)ccc1N
InChIInChI=1S/C11H18N2O3S/c1-3-17(14,15)7-6-13-11-8-9(16-2)4-5-10(11)12/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyQGFNMTJAYHLECE-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.12
Rot. Bonds6

About 2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine

2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine (PubChem CID 114110496) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine
PubChem CID114110496
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine
SMILESCCS(=O)(=O)CCNc1cc(OC)ccc1N
InChIInChI=1S/C11H18N2O3S/c1-3-17(14,15)7-6-13-11-8-9(16-2)4-5-10(11)12/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyQGFNMTJAYHLECE-UHFFFAOYSA-N
XLogP1.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methoxyanilino)ethyl carbamate
CID 83202729
2-(2-amino-5-methoxyanilino)ethylurea
CID 83116899
2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide
CID 106333993
2-N-(2,2-dimethylbutyl)-4-methoxybenzene-1,2-diamine
CID 103460178
4-methoxy-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115515270
N-(2-ethylsulfonylethyl)-4-methoxyaniline
CID 43807675
4-methoxy-2-(methoxymethylsulfonyl)aniline
CID 81207309
4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline
CID 62872422
N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide
CID 79673212
5-methoxy-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 79035630
N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 63258916
4-[(2-amino-5-methoxyanilino)methyl]-3H-1,3-thiazol-2-one
CID 106379499

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine?
The IUPAC name of 2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine (CID 114110496) is 2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine is CCS(=O)(=O)CCNc1cc(OC)ccc1N.
What is the InChIKey of 2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine?
The InChIKey is QGFNMTJAYHLECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-17(14,15)7-6-13-11-8-9(16-2)4-5-10(11)12/h4-5,8,13H,3,6-7,12H2,1-2H3.
What are the key properties of 2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine?
2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine is sourced from PubChem (CID 114110496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).