(4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone

C14H14FNO2S — CID 51456697

IUPAC(4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc3c(F)cccc3s2)CCO1
InChIInChI=1S/C14H14FNO2S/c1-9-8-16(5-6-18-9)14(17)13-7-10-11(15)3-2-4-12(10)19-13/h2-4,7,9H,5-6,8H2,1H3/t9-/m0/s1
InChIKeyLQMCMMVGCKGFKO-VIFPVBQESA-N
MW279.34 g/mol
LogP2.90
Rot. Bonds1

About (4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone

(4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone (PubChem CID 51456697) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is (4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
PubChem CID51456697
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name(4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc3c(F)cccc3s2)CCO1
InChIInChI=1S/C14H14FNO2S/c1-9-8-16(5-6-18-9)14(17)13-7-10-11(15)3-2-4-12(10)19-13/h2-4,7,9H,5-6,8H2,1H3/t9-/m0/s1
InChIKeyLQMCMMVGCKGFKO-VIFPVBQESA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 43057357
(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 51888649
[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144873
(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647340
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone
CID 84583540
2-[1-(4-fluoro-1-benzothiophene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604582
methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate
CID 51153857
(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
(3-amino-4-fluoro-1-benzothiophen-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 79517608
[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 79885901
[1-(2-fluorophenyl)cyclopropyl]-(2-methylmorpholin-4-yl)methanone
CID 110631401
(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 71683349

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone (CID 51456697) is (4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2cc3c(F)cccc3s2)CCO1.
What is the InChIKey of (4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The InChIKey is LQMCMMVGCKGFKO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-9-8-16(5-6-18-9)14(17)13-7-10-11(15)3-2-4-12(10)19-13/h2-4,7,9H,5-6,8H2,1H3/t9-/m0/s1.
What are the key properties of (4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone?
(4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone has a molecular weight of 279.34 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 51456697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).