N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine

C15H25NO2S — CID 75425268

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCC(NCC2CC3C=CC2C3)C1
InChIInChI=1S/C15H25NO2S/c1-19(17,18)15-4-2-3-14(9-15)16-10-13-8-11-5-6-12(13)7-11/h5-6,11-16H,2-4,7-10H2,1H3
InChIKeyCKGJMCSSMKUERO-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.14
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine (PubChem CID 75425268) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine
PubChem CID75425268
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCC(NCC2CC3C=CC2C3)C1
InChIInChI=1S/C15H25NO2S/c1-19(17,18)15-4-2-3-14(9-15)16-10-13-8-11-5-6-12(13)7-11/h5-6,11-16H,2-4,7-10H2,1H3
InChIKeyCKGJMCSSMKUERO-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine (CID 75425268) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine is CS(=O)(=O)C1CCCC(NCC2CC3C=CC2C3)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine?
The InChIKey is CKGJMCSSMKUERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-19(17,18)15-4-2-3-14(9-15)16-10-13-8-11-5-6-12(13)7-11/h5-6,11-16H,2-4,7-10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.14, 4 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]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 75425268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).