ethyl 2-(thiolan-2-ylmethylamino)acetate

C9H17NO2S — CID 80585602

IUPACethyl 2-(thiolan-2-ylmethylamino)acetate
SMILESCCOC(=O)CNCC1CCCS1
InChIInChI=1S/C9H17NO2S/c1-2-12-9(11)7-10-6-8-4-3-5-13-8/h8,10H,2-7H2,1H3
InChIKeyNLNROQUJOHJPKX-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.03
Rot. Bonds5

About ethyl 2-(thiolan-2-ylmethylamino)acetate

ethyl 2-(thiolan-2-ylmethylamino)acetate (PubChem CID 80585602) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is ethyl 2-(thiolan-2-ylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(thiolan-2-ylmethylamino)acetate
PubChem CID80585602
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Nameethyl 2-(thiolan-2-ylmethylamino)acetate
SMILESCCOC(=O)CNCC1CCCS1
InChIInChI=1S/C9H17NO2S/c1-2-12-9(11)7-10-6-8-4-3-5-13-8/h8,10H,2-7H2,1H3
InChIKeyNLNROQUJOHJPKX-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(thiolan-2-ylmethylamino)acetate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-(thian-2-ylmethylamino)acetate
CID 80600319
ethyl 2-methyl-3-(thiolan-2-ylmethylamino)propanoate
CID 80585302
N-propyl-2-(thiolan-2-ylmethylamino)acetamide
CID 80585576
ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429
ethyl 2-oxo-3-(thiolan-2-yl)propanoate
CID 46863587
N-ethyl-2-(thian-2-ylmethylamino)acetamide
CID 80600619
2-(methylamino)-N-(thiolan-2-ylmethyl)acetamide
CID 80584517
N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide
CID 80585387
1-pyrrolidin-1-yl-2-(thian-2-ylmethylamino)ethanone
CID 80600916
N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide
CID 80584523
ethyl 2-(thian-2-ylmethylamino)butanoate
CID 80601085
ethyl 3,3-dimethyl-2-(thian-2-ylmethylcarbamoyl)butanoate
CID 116538199

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(thiolan-2-ylmethylamino)acetate?
The IUPAC name of ethyl 2-(thiolan-2-ylmethylamino)acetate (CID 80585602) is ethyl 2-(thiolan-2-ylmethylamino)acetate.
What is the SMILES notation for ethyl 2-(thiolan-2-ylmethylamino)acetate?
The canonical SMILES for ethyl 2-(thiolan-2-ylmethylamino)acetate is CCOC(=O)CNCC1CCCS1.
What is the InChIKey of ethyl 2-(thiolan-2-ylmethylamino)acetate?
The InChIKey is NLNROQUJOHJPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-2-12-9(11)7-10-6-8-4-3-5-13-8/h8,10H,2-7H2,1H3.
What are the key properties of ethyl 2-(thiolan-2-ylmethylamino)acetate?
ethyl 2-(thiolan-2-ylmethylamino)acetate has a molecular weight of 203.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(thiolan-2-ylmethylamino)acetate is sourced from PubChem (CID 80585602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).