4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide

C15H22N2O2S — CID 63689580

IUPAC4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CC2CCC1C2)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O2S/c1-17(10-13-9-11-2-3-12(13)8-11)20(18,19)15-6-4-14(16)5-7-15/h4-7,11-13H,2-3,8-10,16H2,1H3
InChIKeyJMJVXDWNMBOXII-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.33
Rot. Bonds4

About 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide

4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide (PubChem CID 63689580) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide
PubChem CID63689580
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CC2CCC1C2)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O2S/c1-17(10-13-9-11-2-3-12(13)8-11)20(18,19)15-6-4-14(16)5-7-15/h4-7,11-13H,2-3,8-10,16H2,1H3
InChIKeyJMJVXDWNMBOXII-UHFFFAOYSA-N
XLogP2.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide
CID 63687042
6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide
CID 64601519
4-(2-bicyclo[2.2.1]heptanylmethylsulfonyl)aniline
CID 79561506
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide
CID 63689234
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide
CID 63682736
3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide
CID 63681887
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-disulfonamide
CID 63858844
4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 55001042
4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63858811
4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine
CID 63684121
4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849708

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide (CID 63689580) is 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide is CN(CC1CC2CCC1C2)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is JMJVXDWNMBOXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-17(10-13-9-11-2-3-12(13)8-11)20(18,19)15-6-4-14(16)5-7-15/h4-7,11-13H,2-3,8-10,16H2,1H3.
What are the key properties of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide?
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 63689580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).