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

C14H28N2O2S — CID 106059672

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C14H28N2O2S/c1-3-6-15-7-8-19(17,18)16-11(2)14-10-12-4-5-13(14)9-12/h11-16H,3-10H2,1-2H3
InChIKeyNEGCSQZTNQWGGH-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.73
Rot. Bonds8

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide (PubChem CID 106059672) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide
PubChem CID106059672
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C14H28N2O2S/c1-3-6-15-7-8-19(17,18)16-11(2)14-10-12-4-5-13(14)9-12/h11-16H,3-10H2,1-2H3
InChIKeyNEGCSQZTNQWGGH-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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]ethanesulfonamide
CID 4078136
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106059664
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propane-1-sulfonamide
CID 60910230
N-(1-cyclopentylethyl)-2-(propylamino)ethanesulfonamide
CID 106066112
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807622
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
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine
CID 60668799
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxybenzenesulfonamide
CID 4833444
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methoxybenzenesulfonamide
CID 98607130

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide (CID 106059672) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide?
The InChIKey is NEGCSQZTNQWGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-6-15-7-8-19(17,18)16-11(2)14-10-12-4-5-13(14)9-12/h11-16H,3-10H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide has a molecular weight of 288.46 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 106059672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).