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

C10H19NO2S — CID 3796106

IUPACN-[2-(cyclohexen-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C10H19NO2S/c1-2-14(12,13)11-9-8-10-6-4-3-5-7-10/h6,11H,2-5,7-9H2,1H3
InChIKeyJGVJVIRPPVNREF-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.82
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]ethanesulfonamide (PubChem CID 3796106) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]ethanesulfonamide
PubChem CID3796106
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C10H19NO2S/c1-2-14(12,13)11-9-8-10-6-4-3-5-7-10/h6,11H,2-5,7-9H2,1H3
InChIKeyJGVJVIRPPVNREF-UHFFFAOYSA-N
XLogP1.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.82
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]ethanesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]ethanesulfonamide (CID 3796106) is N-[2-(cyclohexen-1-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]ethanesulfonamide?
The InChIKey is JGVJVIRPPVNREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-2-14(12,13)11-9-8-10-6-4-3-5-7-10/h6,11H,2-5,7-9H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]ethanesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]ethanesulfonamide has a molecular weight of 217.33 g/mol, XLogP of 1.82, 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]ethanesulfonamide is sourced from PubChem (CID 3796106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).