ethyl thiomorpholine-3-carboxylate;hydrochloride

C7H14ClNO2S — CID 17433447

IUPACethyl thiomorpholine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CSCCN1.Cl
InChIInChI=1S/C7H13NO2S.ClH/c1-2-10-7(9)6-5-11-4-3-8-6;/h6,8H,2-5H2,1H3;1H
InChIKeyQQRCEZBURAQLBQ-UHFFFAOYSA-N
MW211.71 g/mol
LogP0.68
Rot. Bonds2

About ethyl thiomorpholine-3-carboxylate;hydrochloride

ethyl thiomorpholine-3-carboxylate;hydrochloride (PubChem CID 17433447) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is ethyl thiomorpholine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl thiomorpholine-3-carboxylate;hydrochloride
PubChem CID17433447
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Nameethyl thiomorpholine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CSCCN1.Cl
InChIInChI=1S/C7H13NO2S.ClH/c1-2-10-7(9)6-5-11-4-3-8-6;/h6,8H,2-5H2,1H3;1H
InChIKeyQQRCEZBURAQLBQ-UHFFFAOYSA-N
XLogP0.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl thiomorpholine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl thiomorpholine-3-carboxylate;hydrochloride (CID 17433447) is ethyl thiomorpholine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl thiomorpholine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl thiomorpholine-3-carboxylate;hydrochloride is CCOC(=O)C1CSCCN1.Cl.
What is the InChIKey of ethyl thiomorpholine-3-carboxylate;hydrochloride?
The InChIKey is QQRCEZBURAQLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S.ClH/c1-2-10-7(9)6-5-11-4-3-8-6;/h6,8H,2-5H2,1H3;1H.
What are the key properties of ethyl thiomorpholine-3-carboxylate;hydrochloride?
ethyl thiomorpholine-3-carboxylate;hydrochloride has a molecular weight of 211.71 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl thiomorpholine-3-carboxylate;hydrochloride is sourced from PubChem (CID 17433447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).