1-(furan-2-yl)-2-thiomorpholin-3-ylethanone

C10H13NO2S — CID 116586671

IUPAC1-(furan-2-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)c1ccco1
InChIInChI=1S/C10H13NO2S/c12-9(10-2-1-4-13-10)6-8-7-14-5-3-11-8/h1-2,4,8,11H,3,5-7H2
InChIKeyYFWOVKIRKASVIO-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.56
Rot. Bonds3

About 1-(furan-2-yl)-2-thiomorpholin-3-ylethanone

1-(furan-2-yl)-2-thiomorpholin-3-ylethanone (PubChem CID 116586671) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-thiomorpholin-3-ylethanone
PubChem CID116586671
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-(furan-2-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)c1ccco1
InChIInChI=1S/C10H13NO2S/c12-9(10-2-1-4-13-10)6-8-7-14-5-3-11-8/h1-2,4,8,11H,3,5-7H2
InChIKeyYFWOVKIRKASVIO-UHFFFAOYSA-N
XLogP1.56
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66421450
1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586592
1-(3-bromophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586628
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586505
5-phenyl-1-thiomorpholin-3-ylpentan-2-one
CID 116586489
1-(4-tert-butylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586667
1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone
CID 107331683
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiomorpholin-3-ylethanone
CID 116586568
1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone
CID 114607644
1-quinolin-3-yl-2-thiomorpholin-3-ylethanone
CID 116586477
1-(3-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylethanone
CID 116586621

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(furan-2-yl)-2-thiomorpholin-3-ylethanone (CID 116586671) is 1-(furan-2-yl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(furan-2-yl)-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-thiomorpholin-3-ylethanone?
The InChIKey is YFWOVKIRKASVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-9(10-2-1-4-13-10)6-8-7-14-5-3-11-8/h1-2,4,8,11H,3,5-7H2.
What are the key properties of 1-(furan-2-yl)-2-thiomorpholin-3-ylethanone?
1-(furan-2-yl)-2-thiomorpholin-3-ylethanone has a molecular weight of 211.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116586671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).