4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide

C15H18N2O2S — CID 115944462

IUPAC4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide
SMILESCC1(C)CC1NS(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C15H18N2O2S/c1-15(2)9-14(15)17-20(18,19)13-8-7-12(16)10-5-3-4-6-11(10)13/h3-8,14,17H,9,16H2,1-2H3
InChIKeyZVYJEFOUSKCJKZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.50
Rot. Bonds3

About 4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide

4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide (PubChem CID 115944462) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide
PubChem CID115944462
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide
SMILESCC1(C)CC1NS(=O)(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C15H18N2O2S/c1-15(2)9-14(15)17-20(18,19)13-8-7-12(16)10-5-3-4-6-11(10)13/h3-8,14,17H,9,16H2,1-2H3
InChIKeyZVYJEFOUSKCJKZ-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.50
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

Laurent acid
CID 6793
Dansylamide
CID 65077
Monodansylcadaverine
CID 4247
4-Amino-1-naphthalenesulfonic acid
CID 6790
Peri acid
CID 6722
1,5-Naphthalenedisulfonic acid, 4-amino-
CID 8336
Dansylethylenediamine
CID 161851
Sodium naphthionate
CID 23665720
N1-dansyl-spermine
CID 9889212
2-Naphthalenesulfonamide, 6-amino-N-methyl-
CID 3034961
5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide
CID 10408519
N-(6-amino-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 137636699

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide (CID 115944462) is 4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide is CC1(C)CC1NS(=O)(=O)c1ccc(N)c2ccccc12.
What is the InChIKey of 4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide?
The InChIKey is ZVYJEFOUSKCJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-15(2)9-14(15)17-20(18,19)13-8-7-12(16)10-5-3-4-6-11(10)13/h3-8,14,17H,9,16H2,1-2H3.
What are the key properties of 4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide?
4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 115944462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).