3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide

C15H23N3O2S — CID 63681887

IUPAC3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide
SMILESCN(CC1CC2CCC1C2)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C15H23N3O2S/c1-18(9-12-5-10-2-3-11(12)4-10)14-6-13(16)7-15(8-14)21(17,19)20/h6-8,10-12H,2-5,9,16H2,1H3,(H2,17,19,20)
InChIKeyJPBOVWJHCAKWHK-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.79
Rot. Bonds4

About 3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide

3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide (PubChem CID 63681887) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide
PubChem CID63681887
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide
SMILESCN(CC1CC2CCC1C2)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C15H23N3O2S/c1-18(9-12-5-10-2-3-11(12)4-10)14-6-13(16)7-15(8-14)21(17,19)20/h6-8,10-12H,2-5,9,16H2,1H3,(H2,17,19,20)
InChIKeyJPBOVWJHCAKWHK-UHFFFAOYSA-N
XLogP1.79
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.79
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

4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide
CID 63689580
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine
CID 63684121
2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide
CID 54887799
3-amino-5-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzenesulfonamide
CID 61426387
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine
CID 116648985
5-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N,5-N-dimethylpyridine-3,5-diamine
CID 104534658
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline
CID 115366879
3-amino-5-[5-hydroxypentyl(methyl)amino]benzenesulfonamide
CID 107197720
4-(2-aminopropyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63794333
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide
CID 81264869
6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide
CID 64601519
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565084

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide (CID 63681887) is 3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide is CN(CC1CC2CCC1C2)c1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide?
The InChIKey is JPBOVWJHCAKWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18(9-12-5-10-2-3-11(12)4-10)14-6-13(16)7-15(8-14)21(17,19)20/h6-8,10-12H,2-5,9,16H2,1H3,(H2,17,19,20).
What are the key properties of 3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide?
3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide is sourced from PubChem (CID 63681887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).