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

C12H20N2O3S2 — CID 63981376

IUPAC4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCC(C)CSC
InChIInChI=1S/C12H20N2O3S2/c1-9(8-18-3)7-14-19(15,16)12-5-4-10(13)6-11(12)17-2/h4-6,9,14H,7-8,13H2,1-3H3
InChIKeyCQXMVEHTDXVPPC-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.55
Rot. Bonds7

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

4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 63981376) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
PubChem CID63981376
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCC(C)CSC
InChIInChI=1S/C12H20N2O3S2/c1-9(8-18-3)7-14-19(15,16)12-5-4-10(13)6-11(12)17-2/h4-6,9,14H,7-8,13H2,1-3H3
InChIKeyCQXMVEHTDXVPPC-UHFFFAOYSA-N
XLogP1.55
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.55
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-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63982011
4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63980942
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 63294130
methyl 3-amino-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoate
CID 63983735
3-bromo-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63961409
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxybenzenesulfonamide
CID 66179699
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665942
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (CID 63981376) is 4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NCC(C)CSC.
What is the InChIKey of 4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is CQXMVEHTDXVPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-9(8-18-3)7-14-19(15,16)12-5-4-10(13)6-11(12)17-2/h4-6,9,14H,7-8,13H2,1-3H3.
What are the key properties of 4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 63981376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).