6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide

C15H18N2O2S — CID 106191063

IUPAC6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide
SMILESCC(C)=CCNS(=O)(=O)c1cccc2cc(N)ccc12
InChIInChI=1S/C15H18N2O2S/c1-11(2)8-9-17-20(18,19)15-5-3-4-12-10-13(16)6-7-14(12)15/h3-8,10,17H,9,16H2,1-2H3
InChIKeyKVYZKUBJYFLCPQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.67
Rot. Bonds4

About 6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide

6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide (PubChem CID 106191063) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide
PubChem CID106191063
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide
SMILESCC(C)=CCNS(=O)(=O)c1cccc2cc(N)ccc12
InChIInChI=1S/C15H18N2O2S/c1-11(2)8-9-17-20(18,19)15-5-3-4-12-10-13(16)6-7-14(12)15/h3-8,10,17H,9,16H2,1-2H3
InChIKeyKVYZKUBJYFLCPQ-UHFFFAOYSA-N
XLogP2.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide
CID 106180453
5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 114154840
2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106191097
6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide
CID 104828899
6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide
CID 107297048
5-amino-2-fluoro-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180759
3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
CID 106180456
5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180466
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
2-bromo-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 103526936
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide
CID 162639530

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide?
The IUPAC name of 6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide (CID 106191063) is 6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide?
The canonical SMILES for 6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide is CC(C)=CCNS(=O)(=O)c1cccc2cc(N)ccc12.
What is the InChIKey of 6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide?
The InChIKey is KVYZKUBJYFLCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11(2)8-9-17-20(18,19)15-5-3-4-12-10-13(16)6-7-14(12)15/h3-8,10,17H,9,16H2,1-2H3.
What are the key properties of 6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide?
6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 106191063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).