ethyl 2-(thiolan-3-ylmethylamino)propanoate

C10H19NO2S — CID 107131969

IUPACethyl 2-(thiolan-3-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCC1CCSC1
InChIInChI=1S/C10H19NO2S/c1-3-13-10(12)8(2)11-6-9-4-5-14-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyZPQXZLHDJXFCMD-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.28
Rot. Bonds5

About ethyl 2-(thiolan-3-ylmethylamino)propanoate

ethyl 2-(thiolan-3-ylmethylamino)propanoate (PubChem CID 107131969) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is ethyl 2-(thiolan-3-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(thiolan-3-ylmethylamino)propanoate
PubChem CID107131969
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Nameethyl 2-(thiolan-3-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCC1CCSC1
InChIInChI=1S/C10H19NO2S/c1-3-13-10(12)8(2)11-6-9-4-5-14-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyZPQXZLHDJXFCMD-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107295770
N-ethyl-N-methyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107132515
2-(thiolan-3-ylmethylamino)butanamide
CID 107295791
2-(thiolan-3-ylmethylamino)butanoic acid
CID 107295403
3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine
CID 107295324
methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107295831
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine
CID 107132179
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide
CID 107296139

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(thiolan-3-ylmethylamino)propanoate?
The IUPAC name of ethyl 2-(thiolan-3-ylmethylamino)propanoate (CID 107131969) is ethyl 2-(thiolan-3-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 2-(thiolan-3-ylmethylamino)propanoate?
The canonical SMILES for ethyl 2-(thiolan-3-ylmethylamino)propanoate is CCOC(=O)C(C)NCC1CCSC1.
What is the InChIKey of ethyl 2-(thiolan-3-ylmethylamino)propanoate?
The InChIKey is ZPQXZLHDJXFCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-13-10(12)8(2)11-6-9-4-5-14-7-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(thiolan-3-ylmethylamino)propanoate?
ethyl 2-(thiolan-3-ylmethylamino)propanoate has a molecular weight of 217.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(thiolan-3-ylmethylamino)propanoate is sourced from PubChem (CID 107131969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).