ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate

C8H15NO2S — CID 97178563

IUPACethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate
SMILESCCNC(=S)[C@H](C)C(=O)OCC
InChIInChI=1S/C8H15NO2S/c1-4-9-7(12)6(3)8(10)11-5-2/h6H,4-5H2,1-3H3,(H,9,12)/t6-/m0/s1
InChIKeyQARAYSDUQOGLJL-LURJTMIESA-N
MW189.28 g/mol
LogP1.12
Rot. Bonds4

About ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate

ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate (PubChem CID 97178563) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate
PubChem CID97178563
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Nameethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate
SMILESCCNC(=S)[C@H](C)C(=O)OCC
InChIInChI=1S/C8H15NO2S/c1-4-9-7(12)6(3)8(10)11-5-2/h6H,4-5H2,1-3H3,(H,9,12)/t6-/m0/s1
InChIKeyQARAYSDUQOGLJL-LURJTMIESA-N
XLogP1.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate
CID 88888785
N-benzylethanamine;diethyl 2-methylpropanedioate
CID 142885461
azane;ethyl N-ethylcarbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate?
The IUPAC name of ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate (CID 97178563) is ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate.
What is the SMILES notation for ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate?
The canonical SMILES for ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate is CCNC(=S)[C@H](C)C(=O)OCC.
What is the InChIKey of ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate?
The InChIKey is QARAYSDUQOGLJL-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO2S/c1-4-9-7(12)6(3)8(10)11-5-2/h6H,4-5H2,1-3H3,(H,9,12)/t6-/m0/s1.
What are the key properties of ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate?
ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate has a molecular weight of 189.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate is sourced from PubChem (CID 97178563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).