N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide

C11H21NO2S — CID 4078136

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C11H21NO2S/c1-3-15(13,14)12-8(2)11-7-9-4-5-10(11)6-9/h8-12H,3-7H2,1-2H3
InChIKeyIQSPEGFQINOOAC-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.75
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide (PubChem CID 4078136) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide
PubChem CID4078136
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C11H21NO2S/c1-3-15(13,14)12-8(2)11-7-9-4-5-10(11)6-9/h8-12H,3-7H2,1-2H3
InChIKeyIQSPEGFQINOOAC-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide
CID 98297363
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide
CID 106059672
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propane-1-sulfonamide
CID 60910230
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106059664
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106059659
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide
CID 106059663
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807622
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
CID 60884968
4-amino-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98148800
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 19681517

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide (CID 4078136) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide?
The InChIKey is IQSPEGFQINOOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-3-15(13,14)12-8(2)11-7-9-4-5-10(11)6-9/h8-12H,3-7H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide has a molecular weight of 231.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 4078136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).