2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide

C9H16N2O2S — CID 43777331

IUPAC2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CC2CC=CC21
InChIInChI=1S/C9H16N2O2S/c10-14(12,13)5-4-11-9-6-7-2-1-3-8(7)9/h1,3,7-9,11H,2,4-6H2,(H2,10,12,13)
InChIKeyDVMOXOKJLBGGEQ-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.17
Rot. Bonds4

About 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide

2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide (PubChem CID 43777331) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide
PubChem CID43777331
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CC2CC=CC21
InChIInChI=1S/C9H16N2O2S/c10-14(12,13)5-4-11-9-6-7-2-1-3-8(7)9/h1,3,7-9,11H,2,4-6H2,(H2,10,12,13)
InChIKeyDVMOXOKJLBGGEQ-UHFFFAOYSA-N
XLogP-0.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4a,4b,8a,9,9a-hexahydro-3H-carbazole-4-sulfonamide
CID 53911086
1-(4-Cyclobutylbut-2-enylsulfonyl)piperidin-4-amine
CID 174634991
N-(6-bicyclo[3.2.0]hept-3-enyl)-1,1-dioxothiolan-3-amine
CID 43222613
2-(Cyclohex-3-en-1-ylmethylamino)ethanesulfonamide
CID 43551764
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-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)ethanesulfonamide
CID 43777329
2-[1-(2-Bicyclo[2.2.1]hept-5-enyl)ethylamino]ethanesulfonamide
CID 43777344
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

Frequently Asked Questions

What is the IUPAC name of 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide?
The IUPAC name of 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide (CID 43777331) is 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide.
What is the SMILES notation for 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide?
The canonical SMILES for 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide is NS(=O)(=O)CCNC1CC2CC=CC21.
What is the InChIKey of 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide?
The InChIKey is DVMOXOKJLBGGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c10-14(12,13)5-4-11-9-6-7-2-1-3-8(7)9/h1,3,7-9,11H,2,4-6H2,(H2,10,12,13).
What are the key properties of 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide?
2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide has a molecular weight of 216.31 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanesulfonamide is sourced from PubChem (CID 43777331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).