N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C15H21ClN2OS2 — CID 119935385

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1CCSc2ccccc21
InChIInChI=1S/C15H20N2OS2.ClH/c18-15(9-11-10-19-8-6-16-11)17-13-5-7-20-14-4-2-1-3-12(13)14;/h1-4,11,13,16H,5-10H2,(H,17,18);1H
InChIKeyQBMUHNZMECZIPE-UHFFFAOYSA-N
MW344.93 g/mol
LogP2.86
Rot. Bonds3

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935385) has the molecular formula C15H21ClN2OS2 and a molecular weight of 344.93 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935385
Molecular FormulaC15H21ClN2OS2
Molecular Weight344.93 g/mol
Exact Mass344.08
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1CCSc2ccccc21
InChIInChI=1S/C15H20N2OS2.ClH/c18-15(9-11-10-19-8-6-16-11)17-13-5-7-20-14-4-2-1-3-12(13)14;/h1-4,11,13,16H,5-10H2,(H,17,18);1H
InChIKeyQBMUHNZMECZIPE-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.93
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
CID 82906018
N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939260
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide
CID 119940333
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-thiomorpholin-3-ylacetamide
CID 107222130
N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939490
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935471
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727126
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942182
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 79285946
N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
CID 119935796

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935385) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NC1CCSc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is QBMUHNZMECZIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2.ClH/c18-15(9-11-10-19-8-6-16-11)17-13-5-7-20-14-4-2-1-3-12(13)14;/h1-4,11,13,16H,5-10H2,(H,17,18);1H.
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 344.93 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).