N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide

C11H19NO2S — CID 18468854

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CC2C=CC1C2
InChIInChI=1S/C11H19NO2S/c1-2-5-15(13,14)12-8-11-7-9-3-4-10(11)6-9/h3-4,9-12H,2,5-8H2,1H3
InChIKeyKJUJWQKOLRDCCH-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.53
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide (PubChem CID 18468854) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide
PubChem CID18468854
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CC2C=CC1C2
InChIInChI=1S/C11H19NO2S/c1-2-5-15(13,14)12-8-11-7-9-3-4-10(11)6-9/h3-4,9-12H,2,5-8H2,1H3
InChIKeyKJUJWQKOLRDCCH-UHFFFAOYSA-N
XLogP1.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide (CID 18468854) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide?
The InChIKey is KJUJWQKOLRDCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-2-5-15(13,14)12-8-11-7-9-3-4-10(11)6-9/h3-4,9-12H,2,5-8H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide has a molecular weight of 229.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 18468854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).