N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine

C10H17NO2S — CID 60920830

IUPACN-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCS(=O)(=O)CCNC1CC2CC=CC21
InChIInChI=1S/C10H17NO2S/c1-14(12,13)6-5-11-10-7-8-3-2-4-9(8)10/h2,4,8-11H,3,5-7H2,1H3
InChIKeyLYYPVLFXXAPHEA-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.59
Rot. Bonds4

About N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 60920830) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID60920830
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC NameN-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCS(=O)(=O)CCNC1CC2CC=CC21
InChIInChI=1S/C10H17NO2S/c1-14(12,13)6-5-11-10-7-8-3-2-4-9(8)10/h2,4,8-11H,3,5-7H2,1H3
InChIKeyLYYPVLFXXAPHEA-UHFFFAOYSA-N
XLogP0.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.59
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-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-4-methylsulfonylbutan-2-amine
CID 121516694
N-(cyclohex-3-en-1-ylmethyl)-1,1-dioxothiolan-3-amine
CID 43181943
N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine
CID 43222613
N-(6-bicyclo[3.2.0]hept-3-enyl)-1-ethylsulfonylpiperidin-4-amine
CID 43771742
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-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine
CID 43778776
N-(6-bicyclo[3.2.0]hept-3-enyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 43780146
N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine
CID 43791488
N-[3-(6-bicyclo[3.2.0]hept-3-enylamino)propyl]-N-ethylmethanesulfonamide
CID 54903059
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 54905184

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 60920830) is N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine is CS(=O)(=O)CCNC1CC2CC=CC21.
What is the InChIKey of N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is LYYPVLFXXAPHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-14(12,13)6-5-11-10-7-8-3-2-4-9(8)10/h2,4,8-11H,3,5-7H2,1H3.
What are the key properties of N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 215.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 60920830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).