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

C14H18Cl2N2OS — CID 119939298

IUPAC1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
SMILESCl.O=C(CC1CSCCN1)N1CCc2c(Cl)cccc21
InChIInChI=1S/C14H17ClN2OS.ClH/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;1H
InChIKeyYMXOHGRMSVPRSU-UHFFFAOYSA-N
MW333.28 g/mol
LogP2.75
Rot. Bonds2

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

1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride (PubChem CID 119939298) has the molecular formula C14H18Cl2N2OS and a molecular weight of 333.28 g/mol. Its IUPAC name is 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
PubChem CID119939298
Molecular FormulaC14H18Cl2N2OS
Molecular Weight333.28 g/mol
Exact Mass332.05
IUPAC Name1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
SMILESCl.O=C(CC1CSCCN1)N1CCc2c(Cl)cccc21
InChIInChI=1S/C14H17ClN2OS.ClH/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;1H
InChIKeyYMXOHGRMSVPRSU-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 52.75
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
CID 119939299
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938532
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119326597
1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119938052
N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119939803
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934886
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119936677
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
1-(4-benzhydrylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119940612
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119936713

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
The IUPAC name of 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride (CID 119939298) is 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride.
What is the SMILES notation for 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
The canonical SMILES for 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride is Cl.O=C(CC1CSCCN1)N1CCc2c(Cl)cccc21.
What is the InChIKey of 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
The InChIKey is YMXOHGRMSVPRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS.ClH/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;1H.
What are the key properties of 1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride?
1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride has a molecular weight of 333.28 g/mol, XLogP of 2.75, 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;hydrochloride is sourced from PubChem (CID 119939298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).