methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate

C10H19NO2S — CID 66097094

IUPACmethyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate
SMILESCCC(N)C1(CC(=O)OC)CCSC1
InChIInChI=1S/C10H19NO2S/c1-3-8(11)10(4-5-14-7-10)6-9(12)13-2/h8H,3-7,11H2,1-2H3
InChIKeySLUKWABIJOHLSI-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.41
Rot. Bonds4

About methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate

methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate (PubChem CID 66097094) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate
PubChem CID66097094
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namemethyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate
SMILESCCC(N)C1(CC(=O)OC)CCSC1
InChIInChI=1S/C10H19NO2S/c1-3-8(11)10(4-5-14-7-10)6-9(12)13-2/h8H,3-7,11H2,1-2H3
InChIKeySLUKWABIJOHLSI-UHFFFAOYSA-N
XLogP1.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate?
The IUPAC name of methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate (CID 66097094) is methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate.
What is the SMILES notation for methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate?
The canonical SMILES for methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate is CCC(N)C1(CC(=O)OC)CCSC1.
What is the InChIKey of methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate?
The InChIKey is SLUKWABIJOHLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-8(11)10(4-5-14-7-10)6-9(12)13-2/h8H,3-7,11H2,1-2H3.
What are the key properties of methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate?
methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate has a molecular weight of 217.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(1-aminopropyl)thiolan-3-yl]acetate is sourced from PubChem (CID 66097094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).