2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide

C11H18N2O3S2 — CID 113466241

IUPAC2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)SC)c(N)c1
InChIInChI=1S/C11H18N2O3S2/c1-8(17-3)7-13-18(14,15)11-5-4-9(16-2)6-10(11)12/h4-6,8,13H,7,12H2,1-3H3
InChIKeyPWSTUEBIDZWCRK-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.31
Rot. Bonds6

About 2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide

2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 113466241) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
PubChem CID113466241
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)SC)c(N)c1
InChIInChI=1S/C11H18N2O3S2/c1-8(17-3)7-13-18(14,15)11-5-4-9(16-2)6-10(11)12/h4-6,8,13H,7,12H2,1-3H3
InChIKeyPWSTUEBIDZWCRK-UHFFFAOYSA-N
XLogP1.31
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.31
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

4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466249
2-amino-N-(2,2-dimethylbutyl)-4-methoxybenzenesulfonamide
CID 103460076
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862
2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29273537
2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 115597756
N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
CID 112501874
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 115454045
2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide
CID 106250052
2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzenesulfonamide
CID 62524804
2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide
CID 29296458
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
CID 93081199

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide (CID 113466241) is 2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)SC)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is PWSTUEBIDZWCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-8(17-3)7-13-18(14,15)11-5-4-9(16-2)6-10(11)12/h4-6,8,13H,7,12H2,1-3H3.
What are the key properties of 2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide?
2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 290.41 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 113466241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).