1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone

C11H15NO4S2 — CID 66382608

IUPAC1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone
SMILESCS(=O)(=O)C1CSCCN1CC(=O)c1ccco1
InChIInChI=1S/C11H15NO4S2/c1-18(14,15)11-8-17-6-4-12(11)7-9(13)10-3-2-5-16-10/h2-3,5,11H,4,6-8H2,1H3
InChIKeyAQRBSBNBGROTJB-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.88
Rot. Bonds4

About 1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone

1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone (PubChem CID 66382608) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone
PubChem CID66382608
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone
SMILESCS(=O)(=O)C1CSCCN1CC(=O)c1ccco1
InChIInChI=1S/C11H15NO4S2/c1-18(14,15)11-8-17-6-4-12(11)7-9(13)10-3-2-5-16-10/h2-3,5,11H,4,6-8H2,1H3
InChIKeyAQRBSBNBGROTJB-UHFFFAOYSA-N
XLogP0.88
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 66384341
4-[(4-iodophenyl)methyl]-3-methylsulfonylthiomorpholine
CID 66383011
1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one
CID 66378285
2-(3-methylsulfonylthiomorpholin-4-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 66383578
2-[3-(difluoromethyl)phenyl]-1-[(3R)-3-methylsulfonylthiomorpholin-4-yl]ethanone
CID 129358749
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518
2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide
CID 66382204
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-methylsulfonylthiomorpholin-4-yl]ethanone
CID 124607385
N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 66384379
4-(3-methylsulfonylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 66384140
(4R)-1-[(3R)-3-methylsulfonylthiomorpholin-4-yl]-4-phenylpentan-1-one
CID 129380735
(2,3-difluorophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66382642

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The IUPAC name of 1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone (CID 66382608) is 1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone is CS(=O)(=O)C1CSCCN1CC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The InChIKey is AQRBSBNBGROTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-18(14,15)11-8-17-6-4-12(11)7-9(13)10-3-2-5-16-10/h2-3,5,11H,4,6-8H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone has a molecular weight of 289.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 66382608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).