2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide

C11H22N2O2S — CID 106335858

IUPAC2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCC1CC=CCC1
InChIInChI=1S/C11H22N2O2S/c1-13(2)16(14,15)9-8-12-10-11-6-4-3-5-7-11/h3-4,11-12H,5-10H2,1-2H3
InChIKeyBVEDOGXQIUKGHS-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.82
Rot. Bonds6

About 2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide

2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide (PubChem CID 106335858) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide
PubChem CID106335858
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCC1CC=CCC1
InChIInChI=1S/C11H22N2O2S/c1-13(2)16(14,15)9-8-12-10-11-6-4-3-5-7-11/h3-4,11-12H,5-10H2,1-2H3
InChIKeyBVEDOGXQIUKGHS-UHFFFAOYSA-N
XLogP0.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide (CID 106335858) is 2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide?
The InChIKey is BVEDOGXQIUKGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-13(2)16(14,15)9-8-12-10-11-6-4-3-5-7-11/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide?
2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide has a molecular weight of 246.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106335858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).