2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone

C9H13NO2S — CID 102652614

IUPAC2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone
SMILESO=C(C1=CCCO1)C1CSCCN1
InChIInChI=1S/C9H13NO2S/c11-9(8-2-1-4-12-8)7-6-13-5-3-10-7/h2,7,10H,1,3-6H2
InChIKeyIMAYRQPWPSMUGK-UHFFFAOYSA-N
MW199.27 g/mol
LogP0.56
Rot. Bonds2

About 2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone

2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone (PubChem CID 102652614) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone
PubChem CID102652614
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone
SMILESO=C(C1=CCCO1)C1CSCCN1
InChIInChI=1S/C9H13NO2S/c11-9(8-2-1-4-12-8)7-6-13-5-3-10-7/h2,7,10H,1,3-6H2
InChIKeyIMAYRQPWPSMUGK-UHFFFAOYSA-N
XLogP0.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydrofuran-5-yl(1,4-dithian-2-yl)methanone
CID 102651043
3,4-dihydro-2H-pyran-5-yl(thiomorpholin-3-yl)methanone
CID 116609702
2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone
CID 116609593
(3-fluorophenyl)-thiomorpholin-3-ylmethanone
CID 116609632
cycloheptyl(2,3-dihydrofuran-5-yl)methanone
CID 102650976
(5-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
CID 116609720
(3R)-thiomorpholine-3-carboxamide
CID 41097978
(2-methylthiophen-3-yl)-thiomorpholin-3-ylmethanone
CID 102839670
2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone
CID 130857171
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone
CID 106313979
2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone
CID 102652763
cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646809

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone (CID 102652614) is 2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone is O=C(C1=CCCO1)C1CSCCN1.
What is the InChIKey of 2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone?
The InChIKey is IMAYRQPWPSMUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c11-9(8-2-1-4-12-8)7-6-13-5-3-10-7/h2,7,10H,1,3-6H2.
What are the key properties of 2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone?
2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone has a molecular weight of 199.27 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl(thiomorpholin-3-yl)methanone is sourced from PubChem (CID 102652614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).