6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide

C16H22N2O2S — CID 104828899

IUPAC6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide
SMILESCC(NS(=O)(=O)c1cccc2cc(N)ccc12)C(C)(C)C
InChIInChI=1S/C16H22N2O2S/c1-11(16(2,3)4)18-21(19,20)15-7-5-6-12-10-13(17)8-9-14(12)15/h5-11,18H,17H2,1-4H3
InChIKeyOYFDOXXOMKVDII-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.13
Rot. Bonds3

About 6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide

6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide (PubChem CID 104828899) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide
PubChem CID104828899
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide
SMILESCC(NS(=O)(=O)c1cccc2cc(N)ccc12)C(C)(C)C
InChIInChI=1S/C16H22N2O2S/c1-11(16(2,3)4)18-21(19,20)15-7-5-6-12-10-13(17)8-9-14(12)15/h5-11,18H,17H2,1-4H3
InChIKeyOYFDOXXOMKVDII-UHFFFAOYSA-N
XLogP3.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide
CID 25040448
4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 113457653
8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide
CID 25047106
6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide
CID 106191063
methyl 4-amino-2-(3,3-dimethylbutan-2-ylsulfamoyl)benzoate
CID 102931597
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25043542
6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide
CID 107297048
N-(5-methylhexan-2-yl)naphthalene-1-sulfonamide
CID 114795789
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide
CID 114795686
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of 6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide (CID 104828899) is 6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide is CC(NS(=O)(=O)c1cccc2cc(N)ccc12)C(C)(C)C.
What is the InChIKey of 6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide?
The InChIKey is OYFDOXXOMKVDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(16(2,3)4)18-21(19,20)15-7-5-6-12-10-13(17)8-9-14(12)15/h5-11,18H,17H2,1-4H3.
What are the key properties of 6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide?
6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 104828899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).