N-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide

C11H19NO2S — CID 45497311

IUPACN-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCC1=CCCCC1)C1CC1
InChIInChI=1S/C11H19NO2S/c13-15(14,11-6-7-11)12-9-8-10-4-2-1-3-5-10/h4,11-12H,1-3,5-9H2
InChIKeyAUVUAGJRBUYNEC-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.96
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide

N-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide (PubChem CID 45497311) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide
PubChem CID45497311
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCC1=CCCCC1)C1CC1
InChIInChI=1S/C11H19NO2S/c13-15(14,11-6-7-11)12-9-8-10-4-2-1-3-5-10/h4,11-12H,1-3,5-9H2
InChIKeyAUVUAGJRBUYNEC-UHFFFAOYSA-N
XLogP1.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide (CID 45497311) is N-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide is O=S(=O)(NCCC1=CCCCC1)C1CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide?
The InChIKey is AUVUAGJRBUYNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-15(14,11-6-7-11)12-9-8-10-4-2-1-3-5-10/h4,11-12H,1-3,5-9H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide has a molecular weight of 229.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 45497311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).