methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate

C10H19NO2S — CID 64613523

IUPACmethyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate
SMILESCNC1CCCC1SCCC(=O)OC
InChIInChI=1S/C10H19NO2S/c1-11-8-4-3-5-9(8)14-7-6-10(12)13-2/h8-9,11H,3-7H2,1-2H3
InChIKeyWUBUFVCPCUALGO-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.42
Rot. Bonds5

About methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate

methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate (PubChem CID 64613523) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate
PubChem CID64613523
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namemethyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate
SMILESCNC1CCCC1SCCC(=O)OC
InChIInChI=1S/C10H19NO2S/c1-11-8-4-3-5-9(8)14-7-6-10(12)13-2/h8-9,11H,3-7H2,1-2H3
InChIKeyWUBUFVCPCUALGO-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate?
The IUPAC name of methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate (CID 64613523) is methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate.
What is the SMILES notation for methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate?
The canonical SMILES for methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate is CNC1CCCC1SCCC(=O)OC.
What is the InChIKey of methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate?
The InChIKey is WUBUFVCPCUALGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-11-8-4-3-5-9(8)14-7-6-10(12)13-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate?
methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate has a molecular weight of 217.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate is sourced from PubChem (CID 64613523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).