furan-2-yl(thiomorpholin-4-yl)methanone

C9H11NO2S — CID 2804982

IUPACfuran-2-yl(thiomorpholin-4-yl)methanone
SMILESO=C(c1ccco1)N1CCSCC1
InChIInChI=1S/C9H11NO2S/c11-9(8-2-1-5-12-8)10-3-6-13-7-4-10/h1-2,5H,3-4,6-7H2
InChIKeyNLZGZUVTOHQCQF-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.47
Rot. Bonds1

About furan-2-yl(thiomorpholin-4-yl)methanone

furan-2-yl(thiomorpholin-4-yl)methanone (PubChem CID 2804982) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is furan-2-yl(thiomorpholin-4-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl(thiomorpholin-4-yl)methanone
PubChem CID2804982
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Namefuran-2-yl(thiomorpholin-4-yl)methanone
SMILESO=C(c1ccco1)N1CCSCC1
InChIInChI=1S/C9H11NO2S/c11-9(8-2-1-5-12-8)10-3-6-13-7-4-10/h1-2,5H,3-4,6-7H2
InChIKeyNLZGZUVTOHQCQF-UHFFFAOYSA-N
XLogP1.47
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl(furan-2-yl)methanone
CID 5200992
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
[4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone
CID 110854742
[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 60656601
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911129
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407

Frequently Asked Questions

What is the IUPAC name of furan-2-yl(thiomorpholin-4-yl)methanone?
The IUPAC name of furan-2-yl(thiomorpholin-4-yl)methanone (CID 2804982) is furan-2-yl(thiomorpholin-4-yl)methanone.
What is the SMILES notation for furan-2-yl(thiomorpholin-4-yl)methanone?
The canonical SMILES for furan-2-yl(thiomorpholin-4-yl)methanone is O=C(c1ccco1)N1CCSCC1.
What is the InChIKey of furan-2-yl(thiomorpholin-4-yl)methanone?
The InChIKey is NLZGZUVTOHQCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-9(8-2-1-5-12-8)10-3-6-13-7-4-10/h1-2,5H,3-4,6-7H2.
What are the key properties of furan-2-yl(thiomorpholin-4-yl)methanone?
furan-2-yl(thiomorpholin-4-yl)methanone has a molecular weight of 197.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl(thiomorpholin-4-yl)methanone is sourced from PubChem (CID 2804982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).