ethyl 2-(thiolan-3-ylamino)butanoate

C10H19NO2S — CID 103062793

IUPACethyl 2-(thiolan-3-ylamino)butanoate
SMILESCCOC(=O)C(CC)NC1CCSC1
InChIInChI=1S/C10H19NO2S/c1-3-9(10(12)13-4-2)11-8-5-6-14-7-8/h8-9,11H,3-7H2,1-2H3
InChIKeySAGCPOVTOBIABI-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.42
Rot. Bonds5

About ethyl 2-(thiolan-3-ylamino)butanoate

ethyl 2-(thiolan-3-ylamino)butanoate (PubChem CID 103062793) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is ethyl 2-(thiolan-3-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-(thiolan-3-ylamino)butanoate
PubChem CID103062793
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Nameethyl 2-(thiolan-3-ylamino)butanoate
SMILESCCOC(=O)C(CC)NC1CCSC1
InChIInChI=1S/C10H19NO2S/c1-3-9(10(12)13-4-2)11-8-5-6-14-7-8/h8-9,11H,3-7H2,1-2H3
InChIKeySAGCPOVTOBIABI-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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Related Compounds

ethyl 2-(thiolan-3-ylamino)acetate
CID 60811995
ethyl 2-phenyl-2-(thian-3-ylamino)acetate
CID 103952099
(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol
CID 28723252
N-(1-cyclopropylpropyl)thiolan-3-amine
CID 103902644
ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate
CID 104526787
ethyl N-(thian-4-yl)carbamate
CID 115599837
ethyl 2-[methyl(thiolan-3-yl)amino]butanoate
CID 64660445
ethyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]butanoate
CID 104696264
ethyl 2-(thiolan-3-ylmethylamino)propanoate
CID 107131969
ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate
CID 64667349
ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate
CID 64668765
2-N-(thiolan-3-yl)propane-1,2-diamine
CID 103391245

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(thiolan-3-ylamino)butanoate?
The IUPAC name of ethyl 2-(thiolan-3-ylamino)butanoate (CID 103062793) is ethyl 2-(thiolan-3-ylamino)butanoate.
What is the SMILES notation for ethyl 2-(thiolan-3-ylamino)butanoate?
The canonical SMILES for ethyl 2-(thiolan-3-ylamino)butanoate is CCOC(=O)C(CC)NC1CCSC1.
What is the InChIKey of ethyl 2-(thiolan-3-ylamino)butanoate?
The InChIKey is SAGCPOVTOBIABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-9(10(12)13-4-2)11-8-5-6-14-7-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(thiolan-3-ylamino)butanoate?
ethyl 2-(thiolan-3-ylamino)butanoate 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 ethyl 2-(thiolan-3-ylamino)butanoate is sourced from PubChem (CID 103062793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).