1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone

C14H17ClN2OS — CID 119939299

IUPAC1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCc2c(Cl)cccc21
InChIInChI=1S/C14H17ClN2OS/c15-12-2-1-3-13-11(12)4-6-17(13)14(18)8-10-9-19-7-5-16-10/h1-3,10,16H,4-9H2
InChIKeyMSTOIZWRJSRBSD-UHFFFAOYSA-N
MW296.82 g/mol
LogP2.32
Rot. Bonds2

About 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone

1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone (PubChem CID 119939299) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone
PubChem CID119939299
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCc2c(Cl)cccc21
InChIInChI=1S/C14H17ClN2OS/c15-12-2-1-3-13-11(12)4-6-17(13)14(18)8-10-9-19-7-5-16-10/h1-3,10,16H,4-9H2
InChIKeyMSTOIZWRJSRBSD-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119939298
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938532
1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119938052
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119326597
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide
CID 119939189
1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119937739
(1-aminocyclopropyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788748
N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119939803
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934886
1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone
CID 119788770
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938232

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone (CID 119939299) is 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)N1CCc2c(Cl)cccc21.
What is the InChIKey of 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone?
The InChIKey is MSTOIZWRJSRBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c15-12-2-1-3-13-11(12)4-6-17(13)14(18)8-10-9-19-7-5-16-10/h1-3,10,16H,4-9H2.
What are the key properties of 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone?
1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone has a molecular weight of 296.82 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 119939299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).