N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide

C13H22N2O3S — CID 166281371

IUPACN-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide
SMILESC=C1C(NC(=O)C(C)S(N)(=O)=O)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C13H22N2O3S/c1-7-10-5-9(13(10,3)4)6-11(7)15-12(16)8(2)19(14,17)18/h8-11H,1,5-6H2,2-4H3,(H,15,16)(H2,14,17,18)/t8?,9-,10+,11?/m1/s1
InChIKeyBNFKOBOAWHOKRC-WIFZPCQCSA-N
MW286.40 g/mol
LogP0.77
Rot. Bonds3

About N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide

N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide (PubChem CID 166281371) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide.

Molecular Properties

Compound NameN-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide
PubChem CID166281371
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide
SMILESC=C1C(NC(=O)C(C)S(N)(=O)=O)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C13H22N2O3S/c1-7-10-5-9(13(10,3)4)6-11(7)15-12(16)8(2)19(14,17)18/h8-11H,1,5-6H2,2-4H3,(H,15,16)(H2,14,17,18)/t8?,9-,10+,11?/m1/s1
InChIKeyBNFKOBOAWHOKRC-WIFZPCQCSA-N
XLogP0.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide?
The IUPAC name of N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide (CID 166281371) is N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide.
What is the SMILES notation for N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide?
The canonical SMILES for N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide is C=C1C(NC(=O)C(C)S(N)(=O)=O)C[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide?
The InChIKey is BNFKOBOAWHOKRC-WIFZPCQCSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-7-10-5-9(13(10,3)4)6-11(7)15-12(16)8(2)19(14,17)18/h8-11H,1,5-6H2,2-4H3,(H,15,16)(H2,14,17,18)/t8?,9-,10+,11?/m1/s1.
What are the key properties of N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide?
N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide has a molecular weight of 286.40 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-2-sulfamoylpropanamide is sourced from PubChem (CID 166281371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).