N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine

C11H21NO2S — CID 63683685

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CCNCC1CC2CCC1C2
InChIInChI=1S/C11H21NO2S/c1-15(13,14)5-4-12-8-11-7-9-2-3-10(11)6-9/h9-12H,2-8H2,1H3
InChIKeyLRHVWHLETSHIMF-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.06
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine (PubChem CID 63683685) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine
PubChem CID63683685
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CCNCC1CC2CCC1C2
InChIInChI=1S/C11H21NO2S/c1-15(13,14)5-4-12-8-11-7-9-2-3-10(11)6-9/h9-12H,2-8H2,1H3
InChIKeyLRHVWHLETSHIMF-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylamino]ethanethiol
CID 129374501
N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79554173
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)butane-1-sulfonamide
CID 106064039
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112589102
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine
CID 107319933
1-(2-bicyclo[2.2.1]heptanylmethylamino)pentan-3-ol
CID 104694066
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)ethanesulfonamide
CID 63681923
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 104693936
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine
CID 79554930
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 104693929
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine
CID 79554753

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine (CID 63683685) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine is CS(=O)(=O)CCNCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine?
The InChIKey is LRHVWHLETSHIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-15(13,14)5-4-12-8-11-7-9-2-3-10(11)6-9/h9-12H,2-8H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine has a molecular weight of 231.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine is sourced from PubChem (CID 63683685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).