[2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate

C11H19NO4S — CID 58980500

IUPAC[2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1(C)CCCCC1NS(C)(=O)=O
InChIInChI=1S/C11H19NO4S/c1-4-10(13)16-11(2)8-6-5-7-9(11)12-17(3,14)15/h4,9,12H,1,5-8H2,2-3H3
InChIKeyFHRAGYBWYXOSNF-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.97
Rot. Bonds4

About [2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate

[2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate (PubChem CID 58980500) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is [2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate
PubChem CID58980500
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name[2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1(C)CCCCC1NS(C)(=O)=O
InChIInChI=1S/C11H19NO4S/c1-4-10(13)16-11(2)8-6-5-7-9(11)12-17(3,14)15/h4,9,12H,1,5-8H2,2-3H3
InChIKeyFHRAGYBWYXOSNF-UHFFFAOYSA-N
XLogP0.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate?
The IUPAC name of [2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate (CID 58980500) is [2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate.
What is the SMILES notation for [2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate?
The canonical SMILES for [2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate is C=CC(=O)OC1(C)CCCCC1NS(C)(=O)=O.
What is the InChIKey of [2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate?
The InChIKey is FHRAGYBWYXOSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-4-10(13)16-11(2)8-6-5-7-9(11)12-17(3,14)15/h4,9,12H,1,5-8H2,2-3H3.
What are the key properties of [2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate?
[2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate has a molecular weight of 261.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methanesulfonamido)-1-methylcyclohexyl] prop-2-enoate is sourced from PubChem (CID 58980500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).