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

C15H26N2O2S — CID 43778779

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCC(NC1CCN(S(C)(=O)=O)CC1)C1CC2C=CC1C2
InChIInChI=1S/C15H26N2O2S/c1-11(15-10-12-3-4-13(15)9-12)16-14-5-7-17(8-6-14)20(2,18)19/h3-4,11-16H,5-10H2,1-2H3
InChIKeyDNUKZCHEUVFIAK-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.60
Rot. Bonds4

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

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 43778779) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID43778779
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCC(NC1CCN(S(C)(=O)=O)CC1)C1CC2C=CC1C2
InChIInChI=1S/C15H26N2O2S/c1-11(15-10-12-3-4-13(15)9-12)16-14-5-7-17(8-6-14)20(2,18)19/h3-4,11-16H,5-10H2,1-2H3
InChIKeyDNUKZCHEUVFIAK-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.60
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

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
N-(2-cyclobut-2-en-1-yl-1-piperidin-4-ylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 139546864
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]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
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-propylsulfonylpiperazin-1-ium
CID 6593196
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-ethylsulfonylpiperazin-1-ium
CID 11859397
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-ethylsulfonylpiperazin-1-ium
CID 11880120
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-propylsulfonylpiperazin-1-ium
CID 11880122

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine (CID 43778779) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine is CC(NC1CCN(S(C)(=O)=O)CC1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is DNUKZCHEUVFIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-11(15-10-12-3-4-13(15)9-12)16-14-5-7-17(8-6-14)20(2,18)19/h3-4,11-16H,5-10H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 298.45 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43778779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).