N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide

C15H20N2O2S — CID 43787041

IUPACN-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C15H20N2O2S/c1-20(18,19)17-15-6-4-14(5-7-15)16-10-13-9-11-2-3-12(13)8-11/h2-7,11-13,16-17H,8-10H2,1H3
InChIKeyMIHBERQSLLSWRQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.68
Rot. Bonds5

About N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide

N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide (PubChem CID 43787041) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide
PubChem CID43787041
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C15H20N2O2S/c1-20(18,19)17-15-6-4-14(5-7-15)16-10-13-9-11-2-3-12(13)8-11/h2-7,11-13,16-17H,8-10H2,1H3
InChIKeyMIHBERQSLLSWRQ-UHFFFAOYSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778721
tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 107240495
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 43784813
1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione
CID 122158633
methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-fluorobenzoate
CID 43784798
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline
CID 43769752
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine
CID 43755848
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide
CID 43778979
N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide
CID 3598178
1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one
CID 43780085
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline
CID 43760335
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-bromoaniline
CID 43762851

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide (CID 43787041) is N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NCC2CC3C=CC2C3)cc1.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide?
The InChIKey is MIHBERQSLLSWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-20(18,19)17-15-6-4-14(5-7-15)16-10-13-9-11-2-3-12(13)8-11/h2-7,11-13,16-17H,8-10H2,1H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide?
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43787041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).