5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide

C13H23N3O3S — CID 62635958

IUPAC5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCCN(C)C(C)C
InChIInChI=1S/C13H23N3O3S/c1-10(2)16(3)8-7-15-20(17,18)13-9-11(14)5-6-12(13)19-4/h5-6,9-10,15H,7-8,14H2,1-4H3
InChIKeyYOUMBZZSNCIHAJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.90
Rot. Bonds7

About 5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide

5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 62635958) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID62635958
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCCN(C)C(C)C
InChIInChI=1S/C13H23N3O3S/c1-10(2)16(3)8-7-15-20(17,18)13-9-11(14)5-6-12(13)19-4/h5-6,9-10,15H,7-8,14H2,1-4H3
InChIKeyYOUMBZZSNCIHAJ-UHFFFAOYSA-N
XLogP0.90
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.90
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

5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
4-(aminomethyl)-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055671
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034479
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453
5-amino-N-hex-5-ynyl-2-methoxybenzenesulfonamide
CID 106208472
5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 29033942

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide (CID 62635958) is 5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)NCCN(C)C(C)C.
What is the InChIKey of 5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is YOUMBZZSNCIHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10(2)16(3)8-7-15-20(17,18)13-9-11(14)5-6-12(13)19-4/h5-6,9-10,15H,7-8,14H2,1-4H3.
What are the key properties of 5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 62635958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).