N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide

C10H18N2O2S — CID 43771829

IUPACN-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CC2CC=CC21
InChIInChI=1S/C10H18N2O2S/c1-15(13,14)12-6-5-11-10-7-8-3-2-4-9(8)10/h2,4,8-12H,3,5-7H2,1H3
InChIKeyWSQHMUQCZFUQAR-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.09
Rot. Bonds5

About N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide

N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide (PubChem CID 43771829) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide
PubChem CID43771829
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CC2CC=CC21
InChIInChI=1S/C10H18N2O2S/c1-15(13,14)12-6-5-11-10-7-8-3-2-4-9(8)10/h2,4,8-12H,3,5-7H2,1H3
InChIKeyWSQHMUQCZFUQAR-UHFFFAOYSA-N
XLogP0.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide
CID 3598178
N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]methanesulfonamide
CID 43208203
N-(6-bicyclo[3.2.0]hept-3-enyl)-1-ethylsulfonylpiperidin-4-amine
CID 43771742
N-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]ethyl]methanesulfonamide
CID 43771842
2-(6-Bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide
CID 43777331
N-(6-bicyclo[3.2.0]hept-3-enyl)-1-methylsulfonylpiperidin-4-amine
CID 43778776
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-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 55256555
N-[1-(cyclohex-3-en-1-ylmethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 55258459
N-(2-methylsulfonylethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 60920830
N-(3-methylsulfonylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 61020768

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide (CID 43771829) is N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNC1CC2CC=CC21.
What is the InChIKey of N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide?
The InChIKey is WSQHMUQCZFUQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-15(13,14)12-6-5-11-10-7-8-3-2-4-9(8)10/h2,4,8-12H,3,5-7H2,1H3.
What are the key properties of N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide?
N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide has a molecular weight of 230.33 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 43771829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).