[(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide

C12H21NO2S — CID 118884057

IUPAC[(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
SMILESC/C=C1\CC2CC[C@@]1(CS(N)(=O)=O)C2(C)C
InChIInChI=1S/C12H21NO2S/c1-4-9-7-10-5-6-12(9,11(10,2)3)8-16(13,14)15/h4,10H,5-8H2,1-3H3,(H2,13,14,15)/b9-4+/t10?,12-/m0/s1
InChIKeyNRKHRHZITGHXOL-YLIFMZQBSA-N
MW243.37 g/mol
LogP2.05
Rot. Bonds2

About [(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide

[(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide (PubChem CID 118884057) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is [(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide.

Molecular Properties

Compound Name[(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
PubChem CID118884057
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name[(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
SMILESC/C=C1\CC2CC[C@@]1(CS(N)(=O)=O)C2(C)C
InChIInChI=1S/C12H21NO2S/c1-4-9-7-10-5-6-12(9,11(10,2)3)8-16(13,14)15/h4,10H,5-8H2,1-3H3,(H2,13,14,15)/b9-4+/t10?,12-/m0/s1
InChIKeyNRKHRHZITGHXOL-YLIFMZQBSA-N
XLogP2.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.05
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 [(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
The IUPAC name of [(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide (CID 118884057) is [(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide.
What is the SMILES notation for [(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
The canonical SMILES for [(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide is C/C=C1\CC2CC[C@@]1(CS(N)(=O)=O)C2(C)C.
What is the InChIKey of [(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
The InChIKey is NRKHRHZITGHXOL-YLIFMZQBSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-4-9-7-10-5-6-12(9,11(10,2)3)8-16(13,14)15/h4,10H,5-8H2,1-3H3,(H2,13,14,15)/b9-4+/t10?,12-/m0/s1.
What are the key properties of [(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
[(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide has a molecular weight of 243.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2E)-2-ethylidene-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide is sourced from PubChem (CID 118884057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).