N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine

C15H26N2O2S — CID 43791488

IUPACN-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC2CC3CC=CC32)CC1
InChIInChI=1S/C15H26N2O2S/c1-2-10-20(18,19)17-8-6-13(7-9-17)16-15-11-12-4-3-5-14(12)15/h3,5,12-16H,2,4,6-11H2,1H3
InChIKeySSYSCUWBRZDDDL-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.74
Rot. Bonds5

About N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine

N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine (PubChem CID 43791488) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine
PubChem CID43791488
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC2CC3CC=CC32)CC1
InChIInChI=1S/C15H26N2O2S/c1-2-10-20(18,19)17-8-6-13(7-9-17)16-15-11-12-4-3-5-14(12)15/h3,5,12-16H,2,4,6-11H2,1H3
InChIKeySSYSCUWBRZDDDL-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.74
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-(4-Cyclobutylbut-2-enylsulfonyl)piperidin-4-amine
CID 174634991
1-(1-Cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine
CID 174634992
N-(cyclohex-3-en-1-ylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 43208072
N-(cyclohex-3-en-1-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 43432044
N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43747930
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 43771740
N-(6-bicyclo[3.2.0]hept-3-enyl)-1-ethylsulfonylpiperidin-4-amine
CID 43771742
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-ethylsulfonylpiperidin-4-amine
CID 43771744
N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide
CID 43771829
2-(6-Bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide
CID 43777331
N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothian-4-amine
CID 43778631
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 43778774

Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine (CID 43791488) is N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NC2CC3CC=CC32)CC1.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine?
The InChIKey is SSYSCUWBRZDDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-2-10-20(18,19)17-8-6-13(7-9-17)16-15-11-12-4-3-5-14(12)15/h3,5,12-16H,2,4,6-11H2,1H3.
What are the key properties of N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine?
N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine has a molecular weight of 298.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43791488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).