N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide

C10H19NO3S — CID 91371724

IUPACN-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide
SMILESC=C1CCCC(S(=O)(=O)NCCOC)C1
InChIInChI=1S/C10H19NO3S/c1-9-4-3-5-10(8-9)15(12,13)11-6-7-14-2/h10-11H,1,3-8H2,2H3
InChIKeyUVVUHLDELRGICO-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.05
Rot. Bonds5

About N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide

N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide (PubChem CID 91371724) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide
PubChem CID91371724
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide
SMILESC=C1CCCC(S(=O)(=O)NCCOC)C1
InChIInChI=1S/C10H19NO3S/c1-9-4-3-5-10(8-9)15(12,13)11-6-7-14-2/h10-11H,1,3-8H2,2H3
InChIKeyUVVUHLDELRGICO-UHFFFAOYSA-N
XLogP1.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.05
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 N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide (CID 91371724) is N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide is C=C1CCCC(S(=O)(=O)NCCOC)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide?
The InChIKey is UVVUHLDELRGICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-9-4-3-5-10(8-9)15(12,13)11-6-7-14-2/h10-11H,1,3-8H2,2H3.
What are the key properties of N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide?
N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide has a molecular weight of 233.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide is sourced from PubChem (CID 91371724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).