4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide

C11H18N2O3S2 — CID 113466249

IUPAC4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC(C)SC)ccc1N
InChIInChI=1S/C11H18N2O3S2/c1-8(17-3)7-13-18(14,15)9-4-5-10(12)11(6-9)16-2/h4-6,8,13H,7,12H2,1-3H3
InChIKeyKZKFMZVQYAPFNP-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.31
Rot. Bonds6

About 4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide

4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 113466249) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
PubChem CID113466249
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC(C)SC)ccc1N
InChIInChI=1S/C11H18N2O3S2/c1-8(17-3)7-13-18(14,15)9-4-5-10(12)11(6-9)16-2/h4-6,8,13H,7,12H2,1-3H3
InChIKeyKZKFMZVQYAPFNP-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'}

Analyze 4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide 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

3-(aminomethyl)-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077662
4-amino-N-(2-hydroxy-4-methylpentyl)-3-methoxybenzenesulfonamide
CID 107150845
4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide
CID 81438556
3-(aminomethyl)-4,5-dimethoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077681
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 81438617
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466241
4-amino-3-methoxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006616
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246
4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 81437934
methyl 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 81440799

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide (CID 113466249) is 4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCC(C)SC)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is KZKFMZVQYAPFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-8(17-3)7-13-18(14,15)9-4-5-10(12)11(6-9)16-2/h4-6,8,13H,7,12H2,1-3H3.
What are the key properties of 4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide?
4-amino-3-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 4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 113466249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).