[3-(methanesulfonamido)cyclohexyl] prop-2-enoate

C10H17NO4S — CID 58980521

IUPAC[3-(methanesulfonamido)cyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C10H17NO4S/c1-3-10(12)15-9-6-4-5-8(7-9)11-16(2,13)14/h3,8-9,11H,1,4-7H2,2H3
InChIKeyKPMPESASTQFFEY-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.58
Rot. Bonds4

About [3-(methanesulfonamido)cyclohexyl] prop-2-enoate

[3-(methanesulfonamido)cyclohexyl] prop-2-enoate (PubChem CID 58980521) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is [3-(methanesulfonamido)cyclohexyl] prop-2-enoate.

Molecular Properties

Compound Name[3-(methanesulfonamido)cyclohexyl] prop-2-enoate
PubChem CID58980521
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name[3-(methanesulfonamido)cyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C10H17NO4S/c1-3-10(12)15-9-6-4-5-8(7-9)11-16(2,13)14/h3,8-9,11H,1,4-7H2,2H3
InChIKeyKPMPESASTQFFEY-UHFFFAOYSA-N
XLogP0.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.58
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 [3-(methanesulfonamido)cyclohexyl] prop-2-enoate?
The IUPAC name of [3-(methanesulfonamido)cyclohexyl] prop-2-enoate (CID 58980521) is [3-(methanesulfonamido)cyclohexyl] prop-2-enoate.
What is the SMILES notation for [3-(methanesulfonamido)cyclohexyl] prop-2-enoate?
The canonical SMILES for [3-(methanesulfonamido)cyclohexyl] prop-2-enoate is C=CC(=O)OC1CCCC(NS(C)(=O)=O)C1.
What is the InChIKey of [3-(methanesulfonamido)cyclohexyl] prop-2-enoate?
The InChIKey is KPMPESASTQFFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-3-10(12)15-9-6-4-5-8(7-9)11-16(2,13)14/h3,8-9,11H,1,4-7H2,2H3.
What are the key properties of [3-(methanesulfonamido)cyclohexyl] prop-2-enoate?
[3-(methanesulfonamido)cyclohexyl] prop-2-enoate has a molecular weight of 247.32 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methanesulfonamido)cyclohexyl] prop-2-enoate is sourced from PubChem (CID 58980521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).