N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide

C10H19NO2S — CID 127003842

IUPACN-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CC2CCC1C2
InChIInChI=1S/C10H19NO2S/c1-3-14(12,13)11(2)10-7-8-4-5-9(10)6-8/h8-10H,3-7H2,1-2H3
InChIKeyFZSBHCGBHCRGOY-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.46
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide (PubChem CID 127003842) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide
PubChem CID127003842
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CC2CCC1C2
InChIInChI=1S/C10H19NO2S/c1-3-14(12,13)11(2)10-7-8-4-5-9(10)6-8/h8-10H,3-7H2,1-2H3
InChIKeyFZSBHCGBHCRGOY-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]piperidin-4-yl]-N-methylethanesulfonamide
CID 98762126
N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine
CID 1378401
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol
CID 102734752
N-methyl-N-(2-methylcyclohexyl)propane-1-sulfonamide
CID 64541626
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid
CID 57358132
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736
bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide
CID 70567061
N-(2-bicyclo[2.2.1]heptanyl)-2-(diethylsulfamoyl)acetamide
CID 71984128

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide (CID 127003842) is N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide?
The InChIKey is FZSBHCGBHCRGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-14(12,13)11(2)10-7-8-4-5-9(10)6-8/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide has a molecular weight of 217.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide is sourced from PubChem (CID 127003842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).