4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide

C15H20N2O3S — CID 104762860

IUPAC4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C15H20N2O3S/c1-15(2,20-3)10-17-21(18,19)14-9-8-13(16)11-6-4-5-7-12(11)14/h4-9,17H,10,16H2,1-3H3
InChIKeyFTKHTUIFMSOTKE-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.13
Rot. Bonds5

About 4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide

4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide (PubChem CID 104762860) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide
PubChem CID104762860
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C15H20N2O3S/c1-15(2,20-3)10-17-21(18,19)14-9-8-13(16)11-6-4-5-7-12(11)14/h4-9,17H,10,16H2,1-3H3
InChIKeyFTKHTUIFMSOTKE-UHFFFAOYSA-N
XLogP2.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104759943
3-amino-4-[(2-methoxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 104758551
4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 112594590
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 113449858
5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 104758545
5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide
CID 104758528
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate
CID 174606445
N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115650780
5-amino-4-chloro-N-(2-methoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 104758539
3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758508

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide (CID 104762860) is 4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide is COC(C)(C)CNS(=O)(=O)c1ccc(N)c2ccccc12.
What is the InChIKey of 4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide?
The InChIKey is FTKHTUIFMSOTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-15(2,20-3)10-17-21(18,19)14-9-8-13(16)11-6-4-5-7-12(11)14/h4-9,17H,10,16H2,1-3H3.
What are the key properties of 4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide?
4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 104762860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).