4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide

C15H20N2O3S — CID 115944505

IUPAC4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C15H20N2O3S/c1-15(2,18)10-17(3)21(19,20)14-9-8-13(16)11-6-4-5-7-12(11)14/h4-9,18H,10,16H2,1-3H3
InChIKeyZJSJDVWYMRLYLI-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.81
Rot. Bonds4

About 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide

4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide (PubChem CID 115944505) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide
PubChem CID115944505
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C15H20N2O3S/c1-15(2,18)10-17(3)21(19,20)14-9-8-13(16)11-6-4-5-7-12(11)14/h4-9,18H,10,16H2,1-3H3
InChIKeyZJSJDVWYMRLYLI-UHFFFAOYSA-N
XLogP1.81
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.81
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

Dansylamide
CID 65077
Monodansylcadaverine
CID 4247
4-Amino-1-naphthalenesulfonic acid
CID 6790
Dansylethylenediamine
CID 161851
Dansylsarcosine
CID 122239
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
Dansylglycine
CID 70666
5-amino-N-tert-butylnaphthalene-1-sulfonamide
CID 2824998
5-amino-N-pentylnaphthalene-1-sulfonamide
CID 2824999
5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride
CID 164628908
5-amino-N-benzylnaphthalene-1-sulfonamide
CID 2825000
5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride
CID 22932559

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide (CID 115944505) is 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide is CN(CC(C)(C)O)S(=O)(=O)c1ccc(N)c2ccccc12.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide?
The InChIKey is ZJSJDVWYMRLYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-15(2,18)10-17(3)21(19,20)14-9-8-13(16)11-6-4-5-7-12(11)14/h4-9,18H,10,16H2,1-3H3.
What are the key properties of 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide?
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 115944505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).