[2-(methanesulfonamido)cyclopentyl] prop-2-enoate

C9H15NO4S — CID 58980510

IUPAC[2-(methanesulfonamido)cyclopentyl] prop-2-enoate
SMILESC=CC(=O)OC1CCCC1NS(C)(=O)=O
InChIInChI=1S/C9H15NO4S/c1-3-9(11)14-8-6-4-5-7(8)10-15(2,12)13/h3,7-8,10H,1,4-6H2,2H3
InChIKeyCLXCXFQSBMXCAF-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.19
Rot. Bonds4

About [2-(methanesulfonamido)cyclopentyl] prop-2-enoate

[2-(methanesulfonamido)cyclopentyl] prop-2-enoate (PubChem CID 58980510) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is [2-(methanesulfonamido)cyclopentyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(methanesulfonamido)cyclopentyl] prop-2-enoate
PubChem CID58980510
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name[2-(methanesulfonamido)cyclopentyl] prop-2-enoate
SMILESC=CC(=O)OC1CCCC1NS(C)(=O)=O
InChIInChI=1S/C9H15NO4S/c1-3-9(11)14-8-6-4-5-7(8)10-15(2,12)13/h3,7-8,10H,1,4-6H2,2H3
InChIKeyCLXCXFQSBMXCAF-UHFFFAOYSA-N
XLogP0.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.19
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)cyclopentyl] prop-2-enoate?
The IUPAC name of [2-(methanesulfonamido)cyclopentyl] prop-2-enoate (CID 58980510) is [2-(methanesulfonamido)cyclopentyl] prop-2-enoate.
What is the SMILES notation for [2-(methanesulfonamido)cyclopentyl] prop-2-enoate?
The canonical SMILES for [2-(methanesulfonamido)cyclopentyl] prop-2-enoate is C=CC(=O)OC1CCCC1NS(C)(=O)=O.
What is the InChIKey of [2-(methanesulfonamido)cyclopentyl] prop-2-enoate?
The InChIKey is CLXCXFQSBMXCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-3-9(11)14-8-6-4-5-7(8)10-15(2,12)13/h3,7-8,10H,1,4-6H2,2H3.
What are the key properties of [2-(methanesulfonamido)cyclopentyl] prop-2-enoate?
[2-(methanesulfonamido)cyclopentyl] prop-2-enoate has a molecular weight of 233.29 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methanesulfonamido)cyclopentyl] prop-2-enoate is sourced from PubChem (CID 58980510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).