ethyl 2-(thiolan-3-ylamino)acetate

C8H15NO2S — CID 60811995

IUPACethyl 2-(thiolan-3-ylamino)acetate
SMILESCCOC(=O)CNC1CCSC1
InChIInChI=1S/C8H15NO2S/c1-2-11-8(10)5-9-7-3-4-12-6-7/h7,9H,2-6H2,1H3
InChIKeyDVKFGHSKRDTFRL-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.64
Rot. Bonds4

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

ethyl 2-(thiolan-3-ylamino)acetate (PubChem CID 60811995) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is ethyl 2-(thiolan-3-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(thiolan-3-ylamino)acetate
PubChem CID60811995
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Nameethyl 2-(thiolan-3-ylamino)acetate
SMILESCCOC(=O)CNC1CCSC1
InChIInChI=1S/C8H15NO2S/c1-2-11-8(10)5-9-7-3-4-12-6-7/h7,9H,2-6H2,1H3
InChIKeyDVKFGHSKRDTFRL-UHFFFAOYSA-N
XLogP0.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(thiolan-3-ylamino)butanoate
CID 103062793
ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate
CID 104526787
ethyl N-(thian-4-yl)carbamate
CID 115599837
propan-2-yl 2-(thian-4-ylamino)acetate
CID 115627172
ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate
CID 60681705
ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate
CID 65083489
N-(2-methylpropyl)-2-(thiolan-3-ylamino)acetamide
CID 115920118
ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate
CID 107094633
N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide
CID 104530421
3-(thiolan-3-ylamino)propanoic acid
CID 43139948
2-(thian-3-ylamino)acetic acid
CID 62872146
1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103785705

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(thiolan-3-ylamino)acetate?
The IUPAC name of ethyl 2-(thiolan-3-ylamino)acetate (CID 60811995) is ethyl 2-(thiolan-3-ylamino)acetate.
What is the SMILES notation for ethyl 2-(thiolan-3-ylamino)acetate?
The canonical SMILES for ethyl 2-(thiolan-3-ylamino)acetate is CCOC(=O)CNC1CCSC1.
What is the InChIKey of ethyl 2-(thiolan-3-ylamino)acetate?
The InChIKey is DVKFGHSKRDTFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-2-11-8(10)5-9-7-3-4-12-6-7/h7,9H,2-6H2,1H3.
What are the key properties of ethyl 2-(thiolan-3-ylamino)acetate?
ethyl 2-(thiolan-3-ylamino)acetate has a molecular weight of 189.28 g/mol, XLogP of 0.64, 4 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)acetate is sourced from PubChem (CID 60811995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).