N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide

C16H22N2O3S — CID 119935250

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3S/c19-16(10-13-11-22-8-5-17-13)18-4-3-12-1-2-14-15(9-12)21-7-6-20-14/h1-2,9,13,17H,3-8,10-11H2,(H,18,19)
InChIKeyXGIBCSQHABCTID-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.21
Rot. Bonds5

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119935250) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119935250
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3S/c19-16(10-13-11-22-8-5-17-13)18-4-3-12-1-2-14-15(9-12)21-7-6-20-14/h1-2,9,13,17H,3-8,10-11H2,(H,18,19)
InChIKeyXGIBCSQHABCTID-UHFFFAOYSA-N
XLogP1.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938762
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937483
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935808
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119938182
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiomorpholin-3-ylethanone
CID 116586568
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide;hydrochloride
CID 119266692
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938917
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-4-oxobutanoic acid
CID 9152135
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(methylamino)acetamide
CID 24694943

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 119935250) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is XGIBCSQHABCTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16(10-13-11-22-8-5-17-13)18-4-3-12-1-2-14-15(9-12)21-7-6-20-14/h1-2,9,13,17H,3-8,10-11H2,(H,18,19).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 322.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119935250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).