(2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone

C11H14ClNO2S — CID 106687317

IUPAC(2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccoc2Cl)CCS1
InChIInChI=1S/C11H14ClNO2S/c1-2-8-7-13(4-6-16-8)11(14)9-3-5-15-10(9)12/h3,5,8H,2,4,6-7H2,1H3
InChIKeyXKZGKMXGPZSVEN-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.90
Rot. Bonds2

About (2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone

(2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone (PubChem CID 106687317) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone
PubChem CID106687317
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name(2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccoc2Cl)CCS1
InChIInChI=1S/C11H14ClNO2S/c1-2-8-7-13(4-6-16-8)11(14)9-3-5-15-10(9)12/h3,5,8H,2,4,6-7H2,1H3
InChIKeyXKZGKMXGPZSVEN-UHFFFAOYSA-N
XLogP2.90
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106688582
(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
(2-ethylthiomorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105387603
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106689942
(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106690201
(2-ethylthiomorpholin-4-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 115665116
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
(2-chlorofuran-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 106687354
[5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone
CID 114924716
(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone
CID 115661617

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone (CID 106687317) is (2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone is CCC1CN(C(=O)c2ccoc2Cl)CCS1.
What is the InChIKey of (2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone?
The InChIKey is XKZGKMXGPZSVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-2-8-7-13(4-6-16-8)11(14)9-3-5-15-10(9)12/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone?
(2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone has a molecular weight of 259.76 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(2-ethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 106687317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).