2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride

C14H21ClN2O2S2 — CID 119940145

IUPAC2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride
SMILESCl.O=C(CC1CSCCN1)N1CCOC(c2ccsc2)C1
InChIInChI=1S/C14H20N2O2S2.ClH/c17-14(7-12-10-20-6-2-15-12)16-3-4-18-13(8-16)11-1-5-19-9-11;/h1,5,9,12-13,15H,2-4,6-8,10H2;1H
InChIKeyPURJLPNTDVZYQB-UHFFFAOYSA-N
MW348.92 g/mol
LogP2.16
Rot. Bonds3

About 2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride

2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride (PubChem CID 119940145) has the molecular formula C14H21ClN2O2S2 and a molecular weight of 348.92 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride
PubChem CID119940145
Molecular FormulaC14H21ClN2O2S2
Molecular Weight348.92 g/mol
Exact Mass348.07
IUPAC Name2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride
SMILESCl.O=C(CC1CSCCN1)N1CCOC(c2ccsc2)C1
InChIInChI=1S/C14H20N2O2S2.ClH/c17-14(7-12-10-20-6-2-15-12)16-3-4-18-13(8-16)11-1-5-19-9-11;/h1,5,9,12-13,15H,2-4,6-8,10H2;1H
InChIKeyPURJLPNTDVZYQB-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride (CID 119940145) is 2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride is Cl.O=C(CC1CSCCN1)N1CCOC(c2ccsc2)C1.
What is the InChIKey of 2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride?
The InChIKey is PURJLPNTDVZYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2.ClH/c17-14(7-12-10-20-6-2-15-12)16-3-4-18-13(8-16)11-1-5-19-9-11;/h1,5,9,12-13,15H,2-4,6-8,10H2;1H.
What are the key properties of 2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride?
2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 119940145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).