N-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide

C12H22N2O2S — CID 55256555

IUPACN-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1CC2CC=CC21)NS(C)(=O)=O
InChIInChI=1S/C12H22N2O2S/c1-12(2,14-17(3,15)16)8-13-11-7-9-5-4-6-10(9)11/h4,6,9-11,13-14H,5,7-8H2,1-3H3
InChIKeyNNXRJFUEIGEUNZ-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.87
Rot. Bonds5

About N-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 55256555) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID55256555
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1CC2CC=CC21)NS(C)(=O)=O
InChIInChI=1S/C12H22N2O2S/c1-12(2,14-17(3,15)16)8-13-11-7-9-5-4-6-10(9)11/h4,6,9-11,13-14H,5,7-8H2,1-3H3
InChIKeyNNXRJFUEIGEUNZ-UHFFFAOYSA-N
XLogP0.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide (CID 55256555) is N-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNC1CC2CC=CC21)NS(C)(=O)=O.
What is the InChIKey of N-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is NNXRJFUEIGEUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-12(2,14-17(3,15)16)8-13-11-7-9-5-4-6-10(9)11/h4,6,9-11,13-14H,5,7-8H2,1-3H3.
What are the key properties of N-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 258.39 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 55256555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).