N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H22ClN3O2S — CID 119938532

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H21N3O2S.ClH/c20-15(9-13-11-22-8-6-17-13)18-10-16(21)19-7-5-12-3-1-2-4-14(12)19;/h1-4,13,17H,5-11H2,(H,18,20);1H
InChIKeyFRKIKBNDRZLNOB-UHFFFAOYSA-N
MW355.89 g/mol
LogP1.21
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119938532) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119938532
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H21N3O2S.ClH/c20-15(9-13-11-22-8-6-17-13)18-10-16(21)19-7-5-12-3-1-2-4-14(12)19;/h1-4,13,17H,5-11H2,(H,18,20);1H
InChIKeyFRKIKBNDRZLNOB-UHFFFAOYSA-N
XLogP1.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941383
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938232
1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119939298
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride
CID 119769061
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941703
1-(4-chloro-2,3-dihydroindol-1-yl)-2-thiomorpholin-3-ylethanone
CID 119939299
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934886
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119939803
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
CID 119315166

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119938532) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NCC(=O)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is FRKIKBNDRZLNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c20-15(9-13-11-22-8-6-17-13)18-10-16(21)19-7-5-12-3-1-2-4-14(12)19;/h1-4,13,17H,5-11H2,(H,18,20);1H.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119938532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).