[3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate

C10H17NO4S — CID 58980511

IUPAC[3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C10H17NO4S/c1-7(2)10(12)15-9-5-4-8(6-9)11-16(3,13)14/h8-9,11H,1,4-6H2,2-3H3
InChIKeyIVHDDGPBNUKCIR-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.58
Rot. Bonds4

About [3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate

[3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate (PubChem CID 58980511) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is [3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate
PubChem CID58980511
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name[3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C10H17NO4S/c1-7(2)10(12)15-9-5-4-8(6-9)11-16(3,13)14/h8-9,11H,1,4-6H2,2-3H3
InChIKeyIVHDDGPBNUKCIR-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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Related Compounds

[4-(methanesulfonamido)cyclohexyl] 2-methylprop-2-enoate
CID 58980503
8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate
CID 164845118
(3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate
CID 118603756
(3,4-diethoxycyclohexyl) 2-methylprop-2-enoate
CID 174980293
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 58819322

Frequently Asked Questions

What is the IUPAC name of [3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate (CID 58980511) is [3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(NS(C)(=O)=O)C1.
What is the InChIKey of [3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate?
The InChIKey is IVHDDGPBNUKCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-7(2)10(12)15-9-5-4-8(6-9)11-16(3,13)14/h8-9,11H,1,4-6H2,2-3H3.
What are the key properties of [3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate?
[3-(methanesulfonamido)cyclopentyl] 2-methylprop-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)cyclopentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 58980511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).