N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine

C14H24N2O2S — CID 43778774

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H24N2O2S/c1-19(17,18)16-6-4-14(5-7-16)15-10-13-9-11-2-3-12(13)8-11/h2-3,11-15H,4-10H2,1H3
InChIKeyHSOJEDWGTHPKBJ-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.21
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 43778774) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID43778774
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H24N2O2S/c1-19(17,18)16-6-4-14(5-7-16)15-10-13-9-11-2-3-12(13)8-11/h2-3,11-15H,4-10H2,1H3
InChIKeyHSOJEDWGTHPKBJ-UHFFFAOYSA-N
XLogP1.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Bicyclo[2.2.1]hept-2-enylmethyl)-4-methylsulfonylpiperazine
CID 652057
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 75377988
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 98220489
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 98220490
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methylsulfonylpiperazine
CID 882002
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-propylsulfonylpiperazin-1-ium
CID 2168308
N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]propane-1-sulfonamide
CID 3303907
N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide
CID 3598178
1-(2-Bicyclo[2.2.1]hept-5-enylmethyl)-4-ethylsulfonylpiperazin-1-ium
CID 4073183
1-(2-Bicyclo[2.2.1]hept-5-enylmethyl)-4-propylsulfonylpiperazin-1-ium
CID 4078170
N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]ethanesulfonamide
CID 4223114
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methylsulfonylpiperazine
CID 6544819

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine (CID 43778774) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(NCC2CC3C=CC2C3)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is HSOJEDWGTHPKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-19(17,18)16-6-4-14(5-7-16)15-10-13-9-11-2-3-12(13)8-11/h2-3,11-15H,4-10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 284.43 g/mol, XLogP of 1.21, 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)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43778774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).