N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide

C14H28N2O2S — CID 106064039

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCC1CC2CCC1C2
InChIInChI=1S/C14H28N2O2S/c1-2-15-7-3-4-8-19(17,18)16-11-14-10-12-5-6-13(14)9-12/h12-16H,2-11H2,1H3
InChIKeyDWDGHXBDONQNBK-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.73
Rot. Bonds9

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide (PubChem CID 106064039) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide
PubChem CID106064039
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCC1CC2CCC1C2
InChIInChI=1S/C14H28N2O2S/c1-2-15-7-3-4-8-19(17,18)16-11-14-10-12-5-6-13(14)9-12/h12-16H,2-11H2,1H3
InChIKeyDWDGHXBDONQNBK-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)ethanesulfonamide
CID 63681923
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine
CID 63683685
N-(cyclohexylmethyl)-3-(ethylamino)propane-1-sulfonamide
CID 106027864
N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide
CID 113479488
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106064066
3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide
CID 106016480
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine
CID 107319933
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide
CID 63683358
N-[(4-ethylcyclohexyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106012793
N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide
CID 106028001
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide (CID 106064039) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide is CCNCCCCS(=O)(=O)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide?
The InChIKey is DWDGHXBDONQNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-2-15-7-3-4-8-19(17,18)16-11-14-10-12-5-6-13(14)9-12/h12-16H,2-11H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide has a molecular weight of 288.46 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide is sourced from PubChem (CID 106064039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).